Geometry & MOs

Info

ID:	448166
PubChem CID:	135288927
Reduced:	O2N5H15C23 (1)
Stoich.:	A2B5C15D23 (1)
Weight, g/mol:	435.115381
ΔH_f, kcal/mol:	124.94
Dipole, Da:	8.92
IP(EA), eV:	-8.39(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-(5-pyridin-3-yl-1,2-dihydroindazol-3-ylidene)pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C3=CC(=CN=C3)O)/C(=C/4\C=C5C(=N4)C=CN=C5C6=COC=C6)/NN2

DOS

IR

Vibrations