Geometry & MOs

Info

ID:	153089
PubChem CID:	56312222
Reduced:	Cl2N3O3C21H23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-99.83
Dipole, Da:	2.58
IP(EA), eV:	-8.68(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=C(C=CC(=C2)Cl)Cl)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations