Geometry & MOs

Info

ID:	200692
PubChem CID:	79428887
Reduced:	NOSH11C12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	20.41
Dipole, Da:	2.56
IP(EA), eV:	-9.45(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(2-hydroxycyclopentyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CCC2=CSC=N2

DOS

IR

Vibrations