Geometry & MOs

Info

ID:	152757
PubChem CID:	56311819
Reduced:	ClN3O3C24H30 (1)
Stoich.:	AB3C3D24E30 (1)
Weight, g/mol:	455.242021
ΔH_f, kcal/mol:	-110.6
Dipole, Da:	6.17
IP(EA), eV:	-8.54(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=C(C=C(C=C2Cl)C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations