Geometry & MOs

Info

ID:	399415
PubChem CID:	135040156
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	246.140851
ΔH_f, kcal/mol:	-84.81
Dipole, Da:	1.94
IP(EA), eV:	-10.07(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethyl-2-prop-2-enylphenanthrene

Drug info:

PubChemData

Smile

CCOC(=O)CCCCC#CC

DOS

IR

Vibrations