Geometry & MOs

Info

ID:	297024
PubChem CID:	117606395
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	389.12156
ΔH_f, kcal/mol:	-53.18
Dipole, Da:	3.38
IP(EA), eV:	-8.77(2.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-6-iodo-8-prop-2-enyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazine

Drug info:

PubChemData

Smile

CNC12CCCC1(C3CCC2C3)CO

DOS

IR

Vibrations