Geometry & MOs

Info

ID:	264269
PubChem CID:	103447955
Reduced:	OSC11H12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-3.91
Dipole, Da:	3.12
IP(EA), eV:	-9.01(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobutyl-2-methylbutane-1,2-diol

Drug info:

PubChemData

Smile

C1CC=C(C1)C(=O)CC2=CSC=C2

DOS

IR

Vibrations