Geometry & MOs

Info

ID:	373961
PubChem CID:	131321727
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-12.9
Dipole, Da:	3.13
IP(EA), eV:	-9.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-2,5-diethylbenzonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1C#N)CC)C(=O)C

DOS

IR

Vibrations