Geometry & MOs

Info

ID:	178877
PubChem CID:	76394792
Reduced:	SO2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	48.42
Dipole, Da:	3.08
IP(EA), eV:	-8.92(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethoxypropyl)-2-(4-oxo-4aH-pyridazino[4,5-b]indol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CS1)N2C3C(=CN=NC3=O)C4=CC=CC=C42

DOS

IR

Vibrations