Geometry & MOs

Info

ID:	179632
PubChem CID:	76514176
Reduced:	O4C21H26 (1)
Stoich.:	A4B21C26 (1)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	-148.08
Dipole, Da:	2.84
IP(EA), eV:	-8.99(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethenyl-4,10-dihydroxy-1,1,4a,7-tetramethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Drug info:

PubChemData

Smile

CC1=C2C(COC3(C2=C(C=C1)C4=C(C3=O)C(CCC4)(C)C)OC)OC

DOS

IR

Vibrations