Geometry & MOs

Info

ID:	308674
PubChem CID:	126522370
Reduced:	ClN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	404.149793
ΔH_f, kcal/mol:	-128.82
Dipole, Da:	11.79
IP(EA), eV:	-9.07(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3E)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H](C1)NC(=O)C2CCCN2C(=O)O)C3=CNC4=C3C=C(C=C4)Cl

DOS

IR

Vibrations