Geometry & MOs

Info

ID:	295955
PubChem CID:	117548613
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	167.131014
ΔH_f, kcal/mol:	-34.23
Dipole, Da:	3.05
IP(EA), eV:	-8.8(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(3-propan-2-yloxetan-3-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C2(COC2)C(C)(C)C#N

DOS

IR

Vibrations