Geometry & MOs

Info

ID:	39750
PubChem CID:	8142143
Reduced:	O2N3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-37.78
Dipole, Da:	3.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756474
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C

DOS

IR

Vibrations