Geometry & MOs

Info

ID:	309001
PubChem CID:	126533950
Reduced:	ON7H25C26 (1)
Stoich.:	AB7C25D26 (1)
Weight, g/mol:	394.100066
ΔH_f, kcal/mol:	120.86
Dipole, Da:	6.71
IP(EA), eV:	-8.68(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C/5\C=C6C(=N5)C=CC=N6)N=C3

DOS

IR

Vibrations