Geometry & MOs

Info

ID:	189277
PubChem CID:	77837020
Reduced:	SBr2N2O5H14C16 (1)
Stoich.:	AB2C2D5E14F16 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-125.59
Dipole, Da:	1.6
IP(EA), eV:	-9.53(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;urea

Drug info:

PubChemData

Smile

CC(=O)N(C1C2N(C1=O)C=C(C(S2=O)CBr)C(=O)O)C3=CC=CC=C3Br

DOS

IR

Vibrations