Geometry & MOs

Info

ID:

380823

PubChem CID:

134971391

Reduced:

O2N3C16H22 (1)

Stoich.:

A2B3C16D22 (1)

Weight, g/mol:

336.212071

ΔHf, kcal/mol:

-13.14

Dipole, Da:

4.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.930258

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,6R)-6-methyl-8-tri(propan-2-yl)silyloxy-3,3a,6,7-tetrahydrocyclohepta[c]furan-1-one

Drug info:

PubChemData

Smile

CCO/C(=C(/C1(CCCCC1C2=CC=CC=C2)N)\[N+]#N)/O

DOS

IR

Vibrations