Geometry & MOs

Info

ID:	266106
PubChem CID:	103558413
Reduced:	O3C10H14 (1)
Stoich.:	A3B10C14 (1)
Weight, g/mol:	168.078644
ΔH_f, kcal/mol:	-87.41
Dipole, Da:	4.55
IP(EA), eV:	-10.11(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methoxycyclobutyl)but-2-ynoic acid

Drug info:

PubChemData

Smile

COC(=O)C#CCC1(CCC1)OC

DOS

IR

Vibrations