Geometry & MOs

Info

ID:	373234
PubChem CID:	131312018
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	175.063329
ΔH_f, kcal/mol:	-45.1
Dipole, Da:	8.42
IP(EA), eV:	-9.87(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-formyl-6-hydroxybenzonitrile

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C#N)C(=O)N)O

DOS

IR

Vibrations