Geometry & MOs

Info

ID:	170300
PubChem CID:	75215237
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	298.19328
ΔH_f, kcal/mol:	-117.37
Dipole, Da:	2.33
IP(EA), eV:	-8.4(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,4-dione

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C)O)O

DOS

IR

Vibrations