Geometry & MOs

Info

ID:	429602
PubChem CID:	135169651
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	493.122255
ΔH_f, kcal/mol:	-54.8
Dipole, Da:	5.93
IP(EA), eV:	-9.56(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-cyano-6-(1,5-dihydrotriazol-2-yl)pyridin-3-yl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1=CC=CC2=NC=CN=C21)NC=O

DOS

IR

Vibrations