Geometry & MOs

Info

ID:	209004
PubChem CID:	80611256
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-89.59
Dipole, Da:	4.87
IP(EA), eV:	-9.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-phenylprop-2-enyl]cyclooctane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCC2(CCCCCCC2)C(=O)O

DOS

IR

Vibrations