Geometry & MOs

Info

ID:	164687
PubChem CID:	74438315
Reduced:	O4N7C17H29 (1)
Stoich.:	A4B7C17D29 (1)
Weight, g/mol:	422.172939
ΔH_f, kcal/mol:	-95.62
Dipole, Da:	6.93
IP(EA), eV:	-8.75(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC2=C(N=CN=C2N1C3C(C(C(O3)CN(C)CCCCON)O)O)N

DOS

IR

Vibrations