Geometry & MOs

Info

ID:	179394
PubChem CID:	76476082
Reduced:	NSO7H29C32 (1)
Stoich.:	ABC7D29E32 (1)
Weight, g/mol:	460.18377
ΔH_f, kcal/mol:	-124.99
Dipole, Da:	9.48
IP(EA), eV:	-9.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl)-1,1-diethylurea

Drug info:

PubChemData

Smile

COCCOC(C(C#CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations