Geometry & MOs

Info

ID:	243762
PubChem CID:	99234673
Reduced:	BrSN3O6C18H20 (1)
Stoich.:	ABC3D6E18F20 (1)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	-124.07
Dipole, Da:	6.66
IP(EA), eV:	-9.42(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)propyl (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC3=C(C(=C2)Br)OCO3)[N+](=O)[O-]

DOS

IR

Vibrations