Geometry & MOs

Info

ID:	30906
PubChem CID:	853761
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	204.053492
ΔH_f, kcal/mol:	-76.72
Dipole, Da:	5.05
IP(EA), eV:	-8.3(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-cyanoacetyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations