Geometry & MOs

Info

ID:	215831
PubChem CID:	85085314
Reduced:	OC3H4 (3)
Stoich.:	AB3C4 (3)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	-98.93
Dipole, Da:	6.47
IP(EA), eV:	-10.29(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-5-hydroxyiminohexanenitrile

Drug info:

PubChemData

Smile

CCC1C(=CC(=O)O1)OCC=C

DOS

IR

Vibrations