Geometry & MOs

Info

ID:	250746
PubChem CID:	103098796
Reduced:	BrO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	377.89221
ΔH_f, kcal/mol:	29.91
Dipole, Da:	7.85
IP(EA), eV:	-9.94(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(3,4-dichlorophenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)C

DOS

IR

Vibrations