Geometry & MOs

Info

ID:	152445
PubChem CID:	56311372
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	446.12051
ΔH_f, kcal/mol:	-77.17
Dipole, Da:	3.03
IP(EA), eV:	-8.59(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-bromo-3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC3=CC(=O)N4C=CC=C(C4=N3)C

DOS

IR

Vibrations