Geometry & MOs

Info

ID:	152882
PubChem CID:	56311964
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	401.150619
ΔH_f, kcal/mol:	-105.16
Dipole, Da:	4.1
IP(EA), eV:	-8.54(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=C(C=CC=C2C(C)C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations