Geometry & MOs

Info

ID:	308997
PubChem CID:	126533790
Reduced:	NO7C19H19 (1)
Stoich.:	AB7C19D19 (1)
Weight, g/mol:	406.165443
ΔH_f, kcal/mol:	-177.84
Dipole, Da:	7.46
IP(EA), eV:	-10.21(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC(C1=CC=CC=C1)OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations