Geometry & MOs

Info

ID:	217775
PubChem CID:	85088364
Reduced:	NOC27H43 (1)
Stoich.:	ABC27D43 (1)
Weight, g/mol:	398.064709
ΔH_f, kcal/mol:	60.57
Dipole, Da:	1.58
IP(EA), eV:	-4.96(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CCCC(=CCON=C(C)C=C(C)C12CCCC3(C1CCC3(C2)C)C)C)C

DOS

IR

Vibrations