Geometry & MOs

Info

ID:	136526
PubChem CID:	52056552
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	428.257612
ΔH_f, kcal/mol:	-0.88
Dipole, Da:	5.86
IP(EA), eV:	-8.38(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations