Geometry & MOs

Info

ID:

169203

PubChem CID:

75074565

Reduced:

O12N19C73H97 (1)

Stoich.:

A12B19C73D97 (1)

Weight, g/mol:

461.279075

ΔHf, kcal/mol:

-399.99

Dipole, Da:

2.6

IP(EA), eV:

 -8.73(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-methyl-N-[7-oxo-1-(5-quinolin-3-yl-1H-imidazol-2-yl)octyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N

DOS

IR

Vibrations