Geometry & MOs

Info

ID:	373856
PubChem CID:	131320708
Reduced:	NO3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	203.058243
ΔH_f, kcal/mol:	-69.52
Dipole, Da:	3.1
IP(EA), eV:	-10.99(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-2-propanoylbenzoic acid

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=CC(=C1)C#N)C(=O)O

DOS

IR

Vibrations