Geometry & MOs

Info

ID:	201378
PubChem CID:	79530487
Reduced:	ClO2N5C10H10 (1)
Stoich.:	AB2C5D10E10 (1)
Weight, g/mol:	362.01024
ΔH_f, kcal/mol:	53.12
Dipole, Da:	5.92
IP(EA), eV:	-8.9(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NCC2=C(NN=C2)N

DOS

IR

Vibrations