Geometry & MOs

Info

ID:	154899
PubChem CID:	56314447
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	446.204194
ΔH_f, kcal/mol:	-130.99
Dipole, Da:	5.0
IP(EA), eV:	-8.28(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-phenylbutyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1CC(=O)N(C1)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

DOS

IR

Vibrations