Geometry & MOs

Info

ID:	23626
PubChem CID:	605281
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	2.65
Dipole, Da:	5.01
IP(EA), eV:	-9.46(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-4-methylidene-4a,5,6,7,8,8a-hexahydro-3H-benzo[e]oxazine-3-carbonitrile

Drug info:

PubChemData

Smile

C=C1C2CCCCC2ON(C1C#N)C3CCCCC3

DOS

IR

Vibrations