Geometry & MOs

Info

ID:	132450
PubChem CID:	51363133
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	336.220164
ΔH_f, kcal/mol:	-30.04
Dipole, Da:	4.93
IP(EA), eV:	-8.56(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations