Geometry & MOs

Info

ID:	404655
PubChem CID:	135068693
Reduced:	NO6C18H21 (1)
Stoich.:	AB6C18D21 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-168.32
Dipole, Da:	1.15
IP(EA), eV:	-8.7(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,7aR)-3-[(4-methoxyphenyl)methyl]-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3C=CC(O2)CC3(C(=O)OC)C(=O)OC

DOS

IR

Vibrations