Geometry & MOs

Info

ID:	385168
PubChem CID:	134978434
Reduced:	O3C20H32 (1)
Stoich.:	A3B20C32 (1)
Weight, g/mol:	111.115827
ΔH_f, kcal/mol:	-149.27
Dipole, Da:	4.61
IP(EA), eV:	-9.2(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC(=C=C(C)CC1(OCCO1)C)C(=O)C2CCCCC2

DOS

IR

Vibrations