Geometry & MOs

Info

ID:	22007
PubChem CID:	594895
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	-9.48
Dipole, Da:	4.25
IP(EA), eV:	-8.71(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxy-2,5-dimethylphenyl)acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C)CC#N

DOS

IR

Vibrations