Geometry & MOs

Info

ID:	152558
PubChem CID:	56311514
Reduced:	Cl2O2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-67.79
Dipole, Da:	1.56
IP(EA), eV:	-9.18(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations