Geometry & MOs

Info

ID:	246961
PubChem CID:	103065813
Reduced:	BrClN2O2C8H8 (1)
Stoich.:	ABC2D2E8F8 (1)
Weight, g/mol:	224.046489
ΔH_f, kcal/mol:	-68.09
Dipole, Da:	6.26
IP(EA), eV:	-9.71(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(chloromethyl)prop-2-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

Drug info:

PubChemData

Smile

C=C(CN1C=C(C(=O)NC1=O)Br)CCl

DOS

IR

Vibrations