Geometry & MOs

Info

ID:	58490
PubChem CID:	24702044
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-12.19
Dipole, Da:	7.53
IP(EA), eV:	-8.95(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpropoxymethyl)benzonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N(CCC#N)C2=CC=CC=C2

DOS

IR

Vibrations