Geometry & MOs

Info

ID:	429475
PubChem CID:	135169524
Reduced:	ClOF3N7H17C22 (1)
Stoich.:	ABC3D7E17F22 (1)
Weight, g/mol:	495.117919
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	6.55
IP(EA), eV:	-7.98(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-cyano-6-(triazol-2-yl)-1,2-dihydropyridin-3-yl]-1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NC=C2N3C(=C(C=N3)C(=O)NC4=CC(=C(C=C4)N(/C=C\N)N)Cl)C(F)(F)F

DOS

IR

Vibrations