Geometry & MOs

Info

ID:	400446
PubChem CID:	135047928
Reduced:	OC10H14 (1)
Stoich.:	AB10C14 (1)
Weight, g/mol:	337.003743
ΔH_f, kcal/mol:	13.86
Dipole, Da:	1.89
IP(EA), eV:	-9.91(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4bS,8aS)-2-methyl-4b,8a-dihydrocarbazol-3-one;carbon monoxide;iron

Drug info:

PubChemData

Smile

C=CC(=C)C[C@H]([CH]C(=C)[CH2])O

DOS

IR

Vibrations