Geometry & MOs

Info

ID:	51351
PubChem CID:	12014005
Reduced:	O4C13H24 (1)
Stoich.:	A4B13C24 (1)
Weight, g/mol:	350.209324
ΔH_f, kcal/mol:	-194.75
Dipole, Da:	2.35
IP(EA), eV:	-9.21(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@]1([C@](O[C@H]2CCCC[C@@H]2O1)(C)OC)OC

DOS

IR

Vibrations