Geometry & MOs

Info

ID:	192284
PubChem CID:	78252762
Reduced:	ON5C21H24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	96.6
Dipole, Da:	7.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.091597
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[NH+](CN1)CCCNC2=C(N=C(O2)CC3=CC=CC4=CC=CC=C43)C#N

DOS

IR

Vibrations