Geometry & MOs

Info

ID:	394949
PubChem CID:	135024221
Reduced:	SiO2C24H38 (1)
Stoich.:	AB2C24D38 (1)
Weight, g/mol:	282.183109
ΔH_f, kcal/mol:	-123.19
Dipole, Da:	3.84
IP(EA), eV:	-9.1(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1S,3S,4R)-2-(methoxymethylidene)-4-methyl-3-(3-oxobutyl)cyclohexyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCC(C(=O)[C@H]1C/C=C(\C)/[Si](C)(C)C)[C@@H](C)COCC2=CC=CC=C2

DOS

IR

Vibrations