Geometry & MOs

Info

ID:	52471
PubChem CID:	12015338
Reduced:	NSC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	257.162708
ΔH_f, kcal/mol:	-0.15
Dipole, Da:	4.12
IP(EA), eV:	-9.35(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-3-(3-hydroxypropylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(CC)SC#N

DOS

IR

Vibrations