Geometry & MOs

Info

ID:	447833
PubChem CID:	135286113
Reduced:	ON8H28C31 (1)
Stoich.:	AB8C28D31 (1)
Weight, g/mol:	404.149793
ΔH_f, kcal/mol:	152.39
Dipole, Da:	3.9
IP(EA), eV:	-8.76(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC=NC=C7)N=C3

DOS

IR

Vibrations