Geometry & MOs

Info

ID:	400447
PubChem CID:	135047933
Reduced:	FeNO4H11C16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	197.084064
ΔH_f, kcal/mol:	83.83
Dipole, Da:	2.36
IP(EA), eV:	-6.71(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4bS,8aS)-2-methyl-4b,8a-dihydrocarbazol-3-one

Drug info:

PubChemData

Smile

CC1=CC2=N[C@H]3C=CC=C[C@H]3C2=CC1=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations