Geometry & MOs

Info

ID:	386777
PubChem CID:	134982907
Reduced:	O3C20H34 (1)
Stoich.:	A3B20C34 (1)
Weight, g/mol:	239.131014
ΔH_f, kcal/mol:	-164.29
Dipole, Da:	4.88
IP(EA), eV:	-9.69(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC(=C=C[C@@H]1[C@H](O[C@H](OC1=O)C(C)(C)C)C)C(C)(C)C

DOS

IR

Vibrations