Geometry & MOs

Info

ID:	51350
PubChem CID:	12014004
Reduced:	NO6H19C22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	244.167459
ΔH_f, kcal/mol:	-132.72
Dipole, Da:	4.03
IP(EA), eV:	-8.25(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4aS,8aS)-3-ethyl-2,3-dimethoxy-2-methyl-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]dioxine

Drug info:

PubChemData

Smile

CN1C2=C3C(=C(C=C2)OC)C=C4C(=C3C5=C(C1=O)C(=C(C=C5)OC)OC)OCO4

DOS

IR

Vibrations