Geometry & MOs

Info

ID:	382328
PubChem CID:	134973408
Reduced:	NO9C24H27 (1)
Stoich.:	AB9C24D27 (1)
Weight, g/mol:	415.163102
ΔH_f, kcal/mol:	-249.94
Dipole, Da:	5.22
IP(EA), eV:	-9.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,8aS)-6-methoxy-7-(nitromethyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Drug info:

PubChemData

Smile

CC(=O)OC1([C@@H](OC2COC(O[C@H]2C1OCC3=CC=CC=C3)C4=CC=CC=C4)OC)C[N+](=O)[O-]

DOS

IR

Vibrations