Geometry & MOs

Info

ID:	435295
PubChem CID:	135188011
Reduced:	SN3O3H13C19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	283.087625
ΔH_f, kcal/mol:	-13.32
Dipole, Da:	3.48
IP(EA), eV:	-9.86(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)indole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)CSC2=C(C(=CC(=O)N2)C3=CC=NC=C3)C#N

DOS

IR

Vibrations