Geometry & MOs

Info

ID:

106349

PubChem CID:

50158815

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

629.394105

ΔHf, kcal/mol:

-179.27

Dipole, Da:

11.68

IP(EA), eV:

 -9.0(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-methyl-5-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)C)C

DOS

IR

Vibrations