Geometry & MOs

Info

ID:	52309
PubChem CID:	12015136
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-49.67
Dipole, Da:	2.84
IP(EA), eV:	-10.09(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C#N)C1=CC(CC(C1)(C)C)(C)O

DOS

IR

Vibrations