Geometry & MOs

Info

ID:	121839
PubChem CID:	50783423
Reduced:	ON7C25H33 (1)
Stoich.:	AB7C25D33 (1)
Weight, g/mol:	476.172752
ΔH_f, kcal/mol:	53.67
Dipole, Da:	10.81
IP(EA), eV:	-8.61(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)N4CCC(CC4)C(=O)NCCN5CCCCC5

DOS

IR

Vibrations