Geometry & MOs

Info

ID:	309745
PubChem CID:	126556927
Reduced:	SN7H15C22 (1)
Stoich.:	AB7C15D22 (1)
Weight, g/mol:	477.173565
ΔH_f, kcal/mol:	220.59
Dipole, Da:	7.98
IP(EA), eV:	-8.53(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-3-(4-thiophen-3-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1=CN=C(C2=C/C(=C/3\C4=CC(=NC=C4NN3)C5=CC(=CN=C5)N)/N=C21)C6=CSC=C6

DOS

IR

Vibrations