Geometry & MOs

Info

ID:	152883
PubChem CID:	56311965
Reduced:	ClN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-91.68
Dipole, Da:	2.14
IP(EA), eV:	-8.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations