Geometry & MOs

Info

ID:	447972
PubChem CID:	135287257
Reduced:	N10C29H34 (1)
Stoich.:	A10B29C34 (1)
Weight, g/mol:	428.085558
ΔH_f, kcal/mol:	195.97
Dipole, Da:	11.21
IP(EA), eV:	-7.82(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3E)-3-[4-(5-fluorothiophen-2-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=C6)CNCC7CCCC7)NN4)/N=C23

DOS

IR

Vibrations