Geometry & MOs

Info

ID:	122210
PubChem CID:	50798137
Reduced:	ON5H17C20 (1)
Stoich.:	AB5C17D20 (1)
Weight, g/mol:	408.195011
ΔH_f, kcal/mol:	71.84
Dipole, Da:	3.13
IP(EA), eV:	-9.26(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NCCC4=CN=CN4

DOS

IR

Vibrations