Geometry & MOs

Info

ID:	429757
PubChem CID:	135169808
Reduced:	ClON8H15C20 (1)
Stoich.:	ABC8D15E20 (1)
Weight, g/mol:	484.158306
ΔH_f, kcal/mol:	147.04
Dipole, Da:	8.08
IP(EA), eV:	-9.03(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[amino-[(Z)-2-aminoethenyl]amino]-5-methoxypyridin-3-yl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NC=C2N=C/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)Cl

DOS

IR

Vibrations