Geometry & MOs

Info

ID:	429942
PubChem CID:	135169997
Reduced:	OSF3N3H6C12 (1)
Stoich.:	ABC3D3E6F12 (1)
Weight, g/mol:	481.122255
ΔH_f, kcal/mol:	-79.37
Dipole, Da:	5.08
IP(EA), eV:	-9.7(-1.46)
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-(2-methyl-1,3-benzoxazol-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC=N2)N3C(=C(C=N3)C=O)C(F)(F)F

DOS

IR

Vibrations