Geometry & MOs

Info

ID:	427761
PubChem CID:	135162200
Reduced:	ON3H7C8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	445.222623
ΔH_f, kcal/mol:	9.95
Dipole, Da:	8.37
IP(EA), eV:	-8.87(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3Z)-3-[amino-[[2-(dimethylamino)quinolin-6-yl]amino]methylidene]-2-oxopyridin-4-yl]amino]-2-[(3R)-oxan-3-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=N2)C(=O)N)C=C1N/C(=C\3/C(=CC=NC3=O)N)/N

DOS

IR

Vibrations