Geometry & MOs

Info

ID:	382801
PubChem CID:	134974158
Reduced:	NO4H14C15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	307.116821
ΔH_f, kcal/mol:	-99.5
Dipole, Da:	2.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.246478
Charge, e:	0

Chem-info

IUPAC name:

(8aR)-7-azido-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

Drug info:

PubChemData

Smile

COC(=O)/C=C(\C(=O)OC)/[N+]1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations