Geometry & MOs

Info

ID:	246944
PubChem CID:	103065730
Reduced:	BrClO2N3C7H7 (1)
Stoich.:	ABC2D3E7F7 (1)
Weight, g/mol:	185.071975
ΔH_f, kcal/mol:	51.44
Dipole, Da:	8.0
IP(EA), eV:	-10.18(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(chloromethyl)prop-2-enyl]-3,5-dimethyl-1,2,4-triazole

Drug info:

PubChemData

Smile

C=C(CN1C=C(C(=N1)[N+](=O)[O-])Br)CCl

DOS

IR

Vibrations