Geometry & MOs

Info

ID:	392604
PubChem CID:	135017326
Reduced:	NO8C33H35 (1)
Stoich.:	AB8C33D35 (1)
Weight, g/mol:	303.162314
ΔH_f, kcal/mol:	-109.04
Dipole, Da:	7.39
IP(EA), eV:	-9.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-benzyl-6,7-dimethyl-2,3-dihydro-1H-carbazol-4-one

Drug info:

PubChemData

Smile

COC(=O)C1(CC=CC2C1O[C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations