Geometry & MOs

Info

ID:	128417
PubChem CID:	51043240
Reduced:	ON4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	353.083413
ΔH_f, kcal/mol:	58.24
Dipole, Da:	5.3
IP(EA), eV:	-9.55(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)NCC2CC3CC2C=C3)N4C=CC=C4

DOS

IR

Vibrations