Geometry & MOs

Info

ID:	141272
PubChem CID:	52851087
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-48.8
Dipole, Da:	4.85
IP(EA), eV:	-8.62(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

DOS

IR

Vibrations