Geometry & MOs

Info

ID:	152461
PubChem CID:	56311392
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	399.288577
ΔH_f, kcal/mol:	-66.01
Dipole, Da:	4.83
IP(EA), eV:	-8.95(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylcyclohexyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C(C)N2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations