Geometry & MOs

Info

ID:	59746
PubChem CID:	24895508
Reduced:	N2S2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	359.110628
ΔH_f, kcal/mol:	82.33
Dipole, Da:	2.95
IP(EA), eV:	-8.32(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-3-yl-7-[2-(trifluoromethyl)phenyl]-1,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2C3=CC=CC=C3SC4=CC=CC=C24

DOS

IR

Vibrations