Geometry & MOs

Info

ID:	152988
PubChem CID:	56312094
Reduced:	Cl3N3O3C21H22 (1)
Stoich.:	A3B3C3D21E22 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-104.02
Dipole, Da:	4.67
IP(EA), eV:	-8.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations