Geometry & MOs

Info

ID:	217028
PubChem CID:	85087136
Reduced:	NSO3H15C18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-4.95
Dipole, Da:	5.49
IP(EA), eV:	-8.46(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 11b-methyl-4-oxo-2,3,4a,5,6,11-hexahydro-1H-benzo[a]carbazole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CNO)SC1=C2C=CC(=O)C=C2)C3=CC(=CC=C3)O

DOS

IR

Vibrations