Geometry & MOs

Info

ID:	272824
PubChem CID:	103760095
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-8.16
Dipole, Da:	3.37
IP(EA), eV:	-9.21(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(2-methylpropoxy)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)OCC(=O)N(C)C2CC2

DOS

IR

Vibrations