Geometry & MOs

Info

ID:	373959
PubChem CID:	131321724
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-13.54
Dipole, Da:	5.57
IP(EA), eV:	-9.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-4,6-diethylbenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations