Geometry & MOs

Info

ID:	9349
PubChem CID:	88310
Reduced:	NOC9H9 (1)
Stoich.:	ABC9D9 (1)
Weight, g/mol:	147.068414
ΔH_f, kcal/mol:	7.38
Dipole, Da:	3.66
IP(EA), eV:	-9.13(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC#N

DOS

IR

Vibrations