Geometry & MOs

Info

ID:

168756

PubChem CID:

75014584

Reduced:

ClO12N21C83H106 (1)

Stoich.:

AB12C21D83E106 (1)

Weight, g/mol:

488.242356

ΔHf, kcal/mol:

-387.0

Dipole, Da:

10.99

IP(EA), eV:

 -8.92(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-4-N-hydroxy-3-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-3,4-dicarboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CCCCNC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CC2=CC=C(C=C2)C3=NN=C(N3)N)NC(=O)C(CC4=CC=C(C=C4)C5=NN=C(N5)N)NC(=O)C(CO)NC(=O)C(CC6=CN=CC=C6)NC(=O)C(CC7=CC=C(C=C7)Cl)NC(=O)C(CC8=CC9=CC=CC=C9C=C8)NC(=O)C

DOS

IR

Vibrations