Geometry & MOs

Info

ID:	47734
PubChem CID:	10534977
Reduced:	OC11H12 (1)
Stoich.:	AB11C12 (1)
Weight, g/mol:	161.084064
ΔH_f, kcal/mol:	-15.49
Dipole, Da:	0.82
IP(EA), eV:	-8.34(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

CCC1=COCC2=CC=CC=C21

DOS

IR

Vibrations