Geometry & MOs

Info

ID:	142638
PubChem CID:	53070236
Reduced:	ClO2N5C27H32 (1)
Stoich.:	AB2C5D27E32 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-37.08
Dipole, Da:	3.95
IP(EA), eV:	-8.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C(C1=O)N3CCCC(C3)C(=O)N4CCN(CC4)C5=C(C=CC(=C5)Cl)C

DOS

IR

Vibrations