Geometry & MOs

Info

ID:	310124
PubChem CID:	126574929
Reduced:	Cl3N5H28C32 (1)
Stoich.:	A3B5C28D32 (1)
Weight, g/mol:	419.151288
ΔH_f, kcal/mol:	107.68
Dipole, Da:	4.4
IP(EA), eV:	-8.74(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-N-cyanopiperidine-1-carboximidamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)C(C3=CC(=CC=C3)Cl)NC4=C5C=CC(=CC5=NC=C4)Cl)C6=NC(=CC=C6)Cl

DOS

IR

Vibrations