Geometry & MOs

Info

ID:	429798
PubChem CID:	135169850
Reduced:	ClIOSN4H16C21 (1)
Stoich.:	ABCDE4F16G21 (1)
Weight, g/mol:	481.122255
ΔH_f, kcal/mol:	91.05
Dipole, Da:	6.55
IP(EA), eV:	-9.17(-2.8)
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-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC=C)C(=O)C1=CC2=C(N=C1)N(C=C2C3=CC(=C4C(=C3)C=CC=N4)Cl)SI

DOS

IR

Vibrations