Geometry & MOs

Info

ID:	389437
PubChem CID:	134992895
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-76.5
Dipole, Da:	5.14
IP(EA), eV:	-9.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S)-2-hydroxy-3,3-dimethylcyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(=O)/C=C\CCC=O

DOS

IR

Vibrations