Geometry & MOs

Info

ID:	25633
PubChem CID:	627674
Reduced:	HN2Br3C3 (1)
Stoich.:	AB2C3D3 (1)
Weight, g/mol:	348.99095
ΔH_f, kcal/mol:	42.58
Dipole, Da:	2.55
IP(EA), eV:	-9.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)acetic acid

Drug info:

PubChemData

Smile

C1(=C(NN=C1Br)Br)Br

DOS

IR

Vibrations