Geometry & MOs

Info

ID:	444145
PubChem CID:	135261465
Reduced:	FN7H24C29 (1)
Stoich.:	AB7C24D29 (1)
Weight, g/mol:	394.117824
ΔH_f, kcal/mol:	160.26
Dipole, Da:	3.57
IP(EA), eV:	-8.62(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-(furan-3-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC(=CC=C7)F)/NN4

DOS

IR

Vibrations