Geometry & MOs

Info

ID:	142640
PubChem CID:	53070504
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	449.186318
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	6.83
IP(EA), eV:	-8.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCC(CC3)C(=O)NC

DOS

IR

Vibrations