Geometry & MOs

Info

ID:	149739
PubChem CID:	53789414
Reduced:	OC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	396.32396
ΔH_f, kcal/mol:	-111.67
Dipole, Da:	4.4
IP(EA), eV:	-9.51(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1S,2R)-2-[3-[[(1S,2S)-2-ethylcyclopropyl]methyl]-4,4-dihydroxybutyl]cyclopentyl]-3,3-dimethylheptanoic acid

Drug info:

PubChemData

Smile

CC(=COC)C(=O)OC1=CC=CC=C1C=O

DOS

IR

Vibrations