Geometry & MOs

Info

ID:	385605
PubChem CID:	134979531
Reduced:	N2O7C16H20 (1)
Stoich.:	A2B7C16D20 (1)
Weight, g/mol:	308.159642
ΔH_f, kcal/mol:	-130.83
Dipole, Da:	6.24
IP(EA), eV:	-10.65(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S)-6-[dimethyl(phenyl)silyl]-3-phenylcyclohex-3-en-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]([C@@H]([C@H](CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])COCOC

DOS

IR

Vibrations