Geometry & MOs

Info

ID:	402521
PubChem CID:	135056279
Reduced:	F2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	230.009434
ΔH_f, kcal/mol:	-129.89
Dipole, Da:	0.25
IP(EA), eV:	-8.78(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-4-chloro-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC/C(=C(/C)\C1=CC(=C(C=C1)OC)F)/C2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations