Geometry & MOs

Info

ID:	448167
PubChem CID:	135288934
Reduced:	OSN5H17C25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	476.178316
ΔH_f, kcal/mol:	160.22
Dipole, Da:	7.66
IP(EA), eV:	-8.52(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]-4-thiophen-3-ylpyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CN=CC=C6)NN4)/C=C32

DOS

IR

Vibrations