Geometry & MOs

Info

ID:	177710
PubChem CID:	76219892
Reduced:	NO4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	179.058243
ΔH_f, kcal/mol:	-160.57
Dipole, Da:	5.85
IP(EA), eV:	-9.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aziridin-2-yl)-4-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1O)O)(C(=O)O)N

DOS

IR

Vibrations