Geometry & MOs

Info

ID:	121503
PubChem CID:	50771129
Reduced:	ON5C24H33 (1)
Stoich.:	AB5C24D33 (1)
Weight, g/mol:	427.213888
ΔH_f, kcal/mol:	3.52
Dipole, Da:	4.79
IP(EA), eV:	-8.19(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)NCC4=CC=CC=C4C

DOS

IR

Vibrations