Geometry & MOs

Info

ID:	384434
PubChem CID:	134976985
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	108.0939
ΔH_f, kcal/mol:	-93.39
Dipole, Da:	1.06
IP(EA), eV:	-8.77(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC#CC[C@H](COCC1=CC=C(C=C1)OC)O

DOS

IR

Vibrations