Geometry & MOs

Info

ID:	7626
PubChem CID:	73556
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-126.26
Dipole, Da:	4.93
IP(EA), eV:	-10.59(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-1-methyl-3-propan-2-ylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@H]1CC[C@@](C1)(C)C(=O)O

DOS

IR

Vibrations