Geometry & MOs

Info

ID:	307064
PubChem CID:	125267439
Reduced:	BrNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	382.130887
ΔH_f, kcal/mol:	21.37
Dipole, Da:	2.38
IP(EA), eV:	-9.47(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(2H-indol-3-yl)ethyl]butanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=C2C=CC=CC2=N1)C(=O)[C@H](C)Br

DOS

IR

Vibrations