Geometry & MOs

Info

ID:	178878
PubChem CID:	76394793
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-35.59
Dipole, Da:	4.79
IP(EA), eV:	-8.78(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C(C)N1C2C(=CN=NC2=O)C3=CC=CC=C31

DOS

IR

Vibrations