Geometry & MOs

Info

ID:	326058
PubChem CID:	126686285
Reduced:	NC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	457.1849
ΔH_f, kcal/mol:	33.3
Dipole, Da:	1.94
IP(EA), eV:	-8.23(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6S,7S,8R,8aR)-6-(2-azidoethoxy)-8-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

Drug info:

PubChemData

Smile

C1=CC(=CCCCN)C=CC1=CCCCN

DOS

IR

Vibrations