Geometry & MOs

Info

ID:	93229
PubChem CID:	49992603
Reduced:	N4O4C31H42 (1)
Stoich.:	A4B4C31D42 (1)
Weight, g/mol:	568.2049
ΔH_f, kcal/mol:	-172.35
Dipole, Da:	8.03
IP(EA), eV:	-8.44(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations