Geometry & MOs

Info

ID:	4345
PubChem CID:	11253
Reduced:	BrNC2O2H4 (1)
Stoich.:	ABC2D2E4 (1)
Weight, g/mol:	152.94254
ΔH_f, kcal/mol:	-24.62
Dipole, Da:	4.08
IP(EA), eV:	-11.14(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-nitroethane

Drug info:

PubChemData

Smile

CC([N+](=O)[O-])Br

DOS

IR

Vibrations