Geometry & MOs

Info

ID:	444260
PubChem CID:	135261881
Reduced:	ClN5H14C17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	423.115381
ΔH_f, kcal/mol:	90.24
Dipole, Da:	2.49
IP(EA), eV:	-8.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-(5-methoxypyridin-3-yl)-3-(4-thiophen-3-ylindol-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)Cl)C4=C2C(=NN4)N

DOS

IR

Vibrations