Geometry & MOs

Info

ID:	130014
PubChem CID:	51074610
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	322.078993
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	3.2
IP(EA), eV:	-9.27(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]benzamide

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)CCOC(C)C

DOS

IR

Vibrations