Geometry & MOs

Info

ID:	39746
PubChem CID:	8142127
Reduced:	O2N3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-71.1
Dipole, Da:	6.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755358
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCCC3)C

DOS

IR

Vibrations