Geometry & MOs

Info

ID:	373316
PubChem CID:	131313164
Reduced:	OC4H4 (2)
Stoich.:	AB4C4 (2)
Weight, g/mol:	175.063329
ΔH_f, kcal/mol:	31.38
Dipole, Da:	4.68
IP(EA), eV:	-10.98(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-formyl-4-hydroxybenzonitrile

Drug info:

PubChemData

Smile

C#CC12CC(C1)(C2)C(=O)O

DOS

IR

Vibrations