Geometry & MOs

Info

ID:	447897
PubChem CID:	135286647
Reduced:	OSN7H23C28 (1)
Stoich.:	ABC7D23E28 (1)
Weight, g/mol:	408.115716
ΔH_f, kcal/mol:	163.92
Dipole, Da:	10.58
IP(EA), eV:	-8.64(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[4-(5-methylthiophen-2-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-5-pyridin-3-yl-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CSC=C7)/NN4

DOS

IR

Vibrations