Geometry & MOs

Info

ID:	307949
PubChem CID:	125310880
Reduced:	FOSN4H15C16 (1)
Stoich.:	ABCD4E15F16 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	35.55
Dipole, Da:	5.02
IP(EA), eV:	-8.94(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(2H-indol-3-yl)-2-methyl-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC=C(S1)C2=NN=C(C2)C(=O)N/N=C\C3=CC=C(C=C3)F

DOS

IR

Vibrations