Geometry & MOs

Info

ID:	371751
PubChem CID:	131271464
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	222.027671
ΔH_f, kcal/mol:	-45.25
Dipole, Da:	2.19
IP(EA), eV:	-9.08(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-3-(hydroxymethyl)-2-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)O)(C#N)OC

DOS

IR

Vibrations