Geometry & MOs

Info

ID:	106613
PubChem CID:	50170979
Reduced:	O3N4C31H42 (1)
Stoich.:	A3B4C31D42 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-128.96
Dipole, Da:	3.91
IP(EA), eV:	-9.0(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C4=CC=CC=C4

DOS

IR

Vibrations