Geometry & MOs

Info

ID:	136520
PubChem CID:	52055788
Reduced:	ClON4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	434.187339
ΔH_f, kcal/mol:	6.1
Dipole, Da:	6.56
IP(EA), eV:	-8.54(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations