Geometry & MOs

Info

ID:	217823
PubChem CID:	85088436
Reduced:	O7C22H26 (1)
Stoich.:	A7B22C26 (1)
Weight, g/mol:	402.167853
ΔH_f, kcal/mol:	-230.73
Dipole, Da:	3.19
IP(EA), eV:	-8.42(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2-phenyl-8-(phenylmethoxymethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

Drug info:

PubChemData

Smile

CC1(CC(C2=C(C(=C(C=C2C1)OC)OC)OC)C3=CC4=C(C(=C3)OC)OCO4)O

DOS

IR

Vibrations