Geometry & MOs

Info

ID:	402346
PubChem CID:	135055599
Reduced:	O3C21H26 (1)
Stoich.:	A3B21C26 (1)
Weight, g/mol:	352.167459
ΔH_f, kcal/mol:	-82.83
Dipole, Da:	6.3
IP(EA), eV:	-8.95(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-hydroxy-2,3-bis(phenylmethoxymethyl)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC[C@]23C[C@H](C(=C)C2)C(=O)C[C@H]3CC=C

DOS

IR

Vibrations