Geometry & MOs

Info

ID:	11738
PubChem CID:	120109
Reduced:	ClO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	278.107357
ΔH_f, kcal/mol:	-104.43
Dipole, Da:	6.2
IP(EA), eV:	-9.41(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=C(C=C3[C@H](CCC3=C2)C(=O)O)Cl

DOS

IR

Vibrations