Geometry & MOs

Info

ID:	394545
PubChem CID:	135023165
Reduced:	O2C25H32 (1)
Stoich.:	A2B25C32 (1)
Weight, g/mol:	336.20893
ΔH_f, kcal/mol:	-65.21
Dipole, Da:	3.37
IP(EA), eV:	-9.13(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-methylhexacyclo[13.5.2.02,14.03,11.06,10.016,20]docosa-2(14),17-diene-7,22-dione

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CCC2=O)CCC4=C3C5C6CC=CC6C4C(=O)C5(C)C

DOS

IR

Vibrations