Geometry & MOs

Info

ID:	48504
PubChem CID:	10588868
Reduced:	BrN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	302.98949
ΔH_f, kcal/mol:	-0.46
Dipole, Da:	4.85
IP(EA), eV:	-9.46(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylideneamino)-5-bromobenzoic acid

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(C=N1)OC2=CC=CC=C2)Br

DOS

IR

Vibrations