Geometry & MOs

Info

ID:	300222
PubChem CID:	121269877
Reduced:	BrN2O3C7H7 (1)
Stoich.:	AB2C3D7E7 (1)
Weight, g/mol:	279.035457
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	3.18
IP(EA), eV:	-9.99(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methoxycarbonyl(trifluoromethoxy)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)Br)OOC(=O)N

DOS

IR

Vibrations