Geometry & MOs

Info

ID:	429580
PubChem CID:	135169629
Reduced:	F3N7H18C22 (1)
Stoich.:	A3B7C18D22 (1)
Weight, g/mol:	537.104018
ΔH_f, kcal/mol:	49.35
Dipole, Da:	7.14
IP(EA), eV:	-9.06(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(1,7a-dihydrotriazolo[4,5-b]pyridin-2-yl)-5-chloropyridin-3-yl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=NC=C2C=C1)N3C(=C(C=N3)/C/4=C/N/N=C\C=N/N=C/C(=C4)/C)C(F)(F)F

DOS

IR

Vibrations