Geometry & MOs

Info

ID:	125979
PubChem CID:	50946446
Reduced:	ON2C19H30 (1)
Stoich.:	AB2C19D30 (1)
Weight, g/mol:	357.16079
ΔH_f, kcal/mol:	-66.93
Dipole, Da:	2.44
IP(EA), eV:	-8.83(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NC2CCN(CC2)C

DOS

IR

Vibrations