Geometry & MOs

Info

ID:	393185
PubChem CID:	135019641
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	610.368966
ΔH_f, kcal/mol:	-63.53
Dipole, Da:	3.56
IP(EA), eV:	-9.53(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3aS)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-7a-(3-hydroxypropyl)-7-(methoxymethoxy)-5-methyl-1,2,3,3a,4,5,6,7-octahydroinden-2-yl] acetate

Drug info:

PubChemData

Smile

C1CCC(CC1)/C=N\C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations