Geometry & MOs

Info

ID:	429664
PubChem CID:	135169714
Reduced:	NF8C9H9 (1)
Stoich.:	AB8C9D9 (1)
Weight, g/mol:	482.142656
ΔH_f, kcal/mol:	-404.97
Dipole, Da:	2.79
IP(EA), eV:	-10.83(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-methoxy-6-(triazol-2-yl)-1,2-dihydropyridin-3-yl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=C(F)F)N(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations