Geometry & MOs

Info

ID:	429638
PubChem CID:	135169687
Reduced:	ClO2N4F5H6C11 (1)
Stoich.:	AB2C4D5E6F11 (1)
Weight, g/mol:	532.05825
ΔH_f, kcal/mol:	-272.91
Dipole, Da:	6.85
IP(EA), eV:	-9.3(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)OC(F)F)NC(=O)C2=C(NN=C2)C(F)(F)F

DOS

IR

Vibrations