Geometry & MOs

Info

ID:	136525
PubChem CID:	52056434
Reduced:	ON5C24H35 (1)
Stoich.:	AB5C24D35 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-1.1
Dipole, Da:	5.29
IP(EA), eV:	-8.24(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(3-methoxyphenyl)pyridazin-3-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)NCCN(CC)CC

DOS

IR

Vibrations