Geometry & MOs

Info

ID:	39738
PubChem CID:	8142098
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	385.155705
ΔH_f, kcal/mol:	-30.55
Dipole, Da:	5.52
IP(EA), eV:	-8.95(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)C

DOS

IR

Vibrations