Geometry & MOs

Info

ID:	153088
PubChem CID:	56312221
Reduced:	Cl2N3O3C21H23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	435.111647
ΔH_f, kcal/mol:	-97.84
Dipole, Da:	4.69
IP(EA), eV:	-8.6(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=C(C=CC=C2Cl)Cl)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations