Geometry & MOs

Info

ID:	152571
PubChem CID:	56311531
Reduced:	IO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	1.68
IP(EA), eV:	-8.95(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclohexyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)I

DOS

IR

Vibrations