Geometry & MOs

Info

ID:	14087
PubChem CID:	403871
Reduced:	NCl2O4H17C25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	465.053463
ΔH_f, kcal/mol:	-99.15
Dipole, Da:	2.97
IP(EA), eV:	-8.79(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2,4-dichlorophenyl)methyl]-2-hydroxy-6-oxo-11H-benzo[b]carbazole-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)C5=CC=CC=C5C3)O

DOS

IR

Vibrations