Geometry & MOs

Info

ID:	435297
PubChem CID:	135188014
Reduced:	BrSN2F3O3H6C10 (1)
Stoich.:	ABC2D3E3F6G10 (1)
Weight, g/mol:	341.133969
ΔH_f, kcal/mol:	-219.48
Dipole, Da:	4.81
IP(EA), eV:	-9.98(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-[6-(1-ethoxyethenyl)pyridazin-4-yl]-5,6-difluoroindole

Drug info:

PubChemData

Smile

COC(=O)CSC1=C(C(=C(C(=O)N1)Br)C(F)(F)F)C#N

DOS

IR

Vibrations