Geometry & MOs

Info

ID:	18315
PubChem CID:	539602
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-89.29
Dipole, Da:	6.67
IP(EA), eV:	-9.36(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)CCCC(C)(C)C(=C=CC(=O)C)C

DOS

IR

Vibrations