Geometry & MOs

Info

ID:	175305
PubChem CID:	75880962
Reduced:	ClO2N3C25H33 (1)
Stoich.:	AB2C3D25E33 (1)
Weight, g/mol:	441.218305
ΔH_f, kcal/mol:	-71.01
Dipole, Da:	3.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.136906
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-3-(4-chlorophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CC2=CC=CC=C2CNC(=O)CC(C3=CC=C(C=C3)Cl)NC(=O)C

DOS

IR

Vibrations