Geometry & MOs

Info

ID:	308464
PubChem CID:	125333175
Reduced:	NO4C25H31 (1)
Stoich.:	AB4C25D31 (1)
Weight, g/mol:	388.11063
ΔH_f, kcal/mol:	-147.18
Dipole, Da:	0.97
IP(EA), eV:	-9.24(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2H-indol-3-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C2C(=N[C@H]1C(=O)OC[C@@H]3CCCO3)C[C@H](CC2=O)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations