Geometry & MOs

Info

ID:

214642

PubChem CID:

85083330

Reduced:

NO2C18H20 (2)

Stoich.:

AB2C18D20 (2)

Weight, g/mol:

564.348231

ΔHf, kcal/mol:

-108.69

Dipole, Da:

5.06

IP(EA), eV:

 -8.06(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(methoxymethoxymethyl)-3,4,8-trimethyl-9-phenylmethoxy-7-tri(propan-2-yl)silyloxy-3,4,4a,6,7,8,9,9a-octahydropyrano[3,2-b]oxepin-2-one

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=C(C=C34)C5CC(=NN5C6=CC=CC=C6)C7=CC(=CC=C7)OC)O)C

DOS

IR

Vibrations