Geometry & MOs

Info

ID:	39748
PubChem CID:	8142137
Reduced:	NOC8H10 (3)
Stoich.:	ABC8D10 (3)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-55.87
Dipole, Da:	5.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754953
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)OC)C

DOS

IR

Vibrations