Geometry & MOs

Info

ID:	308786
PubChem CID:	126522675
Reduced:	SN5H17C24 (1)
Stoich.:	AB5C17D24 (1)
Weight, g/mol:	397.136117
ΔH_f, kcal/mol:	196.84
Dipole, Da:	8.41
IP(EA), eV:	-8.56(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydroindazol-3-ylidene]-4-thiophen-3-ylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC=NC=C6)NN4)/C=C23

DOS

IR

Vibrations