Geometry & MOs

Info

ID:	402114
PubChem CID:	135054439
Reduced:	PO8C9H17 (1)
Stoich.:	AB8C9D17 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-420.3
Dipole, Da:	2.4
IP(EA), eV:	-10.17(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-methylcyclopentyl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C=CCC1CC(C([C@](O1)(COP(=O)(O)O)O)O)O

DOS

IR

Vibrations