Geometry & MOs

Info

ID:	59954
PubChem CID:	26512246
Reduced:	ClN3O3C23H32 (1)
Stoich.:	AB3C3D23E32 (1)
Weight, g/mol:	431.197569
ΔH_f, kcal/mol:	24.16
Dipole, Da:	37.96
IP(EA), eV:	-3.98(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanone

Drug info:

PubChemData

Smile

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations