Geometry & MOs

Info

ID:	284037
PubChem CID:	104029260
Reduced:	BrFN2O4H8C13 (1)
Stoich.:	ABC2D4E8F13 (1)
Weight, g/mol:	356.03717
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	4.11
IP(EA), eV:	-8.89(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2-hydroxycyclohexyl)methyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)NC2=CC(=C(C=C2)O)F

DOS

IR

Vibrations