Geometry & MOs

Info

ID:	373039
PubChem CID:	131308950
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	17.79
Dipole, Da:	7.76
IP(EA), eV:	-7.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-2-ethoxy-3-methylbenzonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=C2C=C(N(N2)C)N)C(=O)C=C1

DOS

IR

Vibrations