Geometry & MOs

Info

ID:	373825
PubChem CID:	131320383
Reduced:	BrNO4H8C10 (1)
Stoich.:	ABC4D8E10 (1)
Weight, g/mol:	270.00039
ΔH_f, kcal/mol:	-55.95
Dipole, Da:	3.64
IP(EA), eV:	-10.33(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-bromo-8-nitro-1,2,3,4-tetrahydronaphthalen-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations