Geometry & MOs

Info

ID:	425418
PubChem CID:	135126267
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	291.137162
ΔH_f, kcal/mol:	25.59
Dipole, Da:	5.85
IP(EA), eV:	-8.64(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NC2=C1C=C(C=C2)C(=O)NC3CN(C3)C4=NC=C(C=N4)OC(C)C)C

DOS

IR

Vibrations