Geometry & MOs

Info

ID:	136514
PubChem CID:	52054329
Reduced:	FN4O4C29H31 (1)
Stoich.:	AB4C4D29E31 (1)
Weight, g/mol:	490.305624
ΔH_f, kcal/mol:	-89.62
Dipole, Da:	5.56
IP(EA), eV:	-8.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C4=NOC(=N4)C5=CC6=C(C=C5)OCO6)F

DOS

IR

Vibrations