Geometry & MOs

Info

ID:	435570
PubChem CID:	135191832
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	-160.46
Dipole, Da:	3.58
IP(EA), eV:	-10.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CCC(C1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations