Geometry & MOs

Info

ID:	266974
PubChem CID:	103580274
Reduced:	BrClOSN2C10H14 (1)
Stoich.:	ABCDE2F10G14 (1)
Weight, g/mol:	380.96037
ΔH_f, kcal/mol:	-33.95
Dipole, Da:	3.08
IP(EA), eV:	-8.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(5-bromo-3-chloropyridin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations