Geometry & MOs

Info

ID:	328880
PubChem CID:	126728628
Reduced:	NOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	248.214016
ΔH_f, kcal/mol:	5.8
Dipole, Da:	1.25
IP(EA), eV:	-8.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(3-methylcyclohexyl)methoxy]ethenyl]bicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C2=CN=C(C=C2)C

DOS

IR

Vibrations