Geometry & MOs

Info

ID:	397918
PubChem CID:	135030980
Reduced:	OC4H7 (4)
Stoich.:	AB4C7 (4)
Weight, g/mol:	451.172993
ΔH_f, kcal/mol:	-213.57
Dipole, Da:	4.18
IP(EA), eV:	-9.51(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC[C@@H]1C(=O)CC[C@@H](O1)CC2(OCCO2)CC

DOS

IR

Vibrations