Geometry & MOs

Info

ID:

92483

PubChem CID:

49987133

Reduced:

O4N5C31H41 (1)

Stoich.:

A4B5C31D41 (1)

Weight, g/mol:

615.378455

ΔHf, kcal/mol:

-154.1

Dipole, Da:

2.23

IP(EA), eV:

 -9.1(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations