Geometry & MOs

Info

ID:	155392
PubChem CID:	56354932
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	442.186572
ΔH_f, kcal/mol:	-60.21
Dipole, Da:	7.4
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(pyridin-4-ylcarbamoyl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=NC=C3)C

DOS

IR

Vibrations