Geometry & MOs

Info

ID:	444171
PubChem CID:	135261565
Reduced:	ON8H26C30 (1)
Stoich.:	AB8C26D30 (1)
Weight, g/mol:	494.185509
ΔH_f, kcal/mol:	160.3
Dipole, Da:	10.87
IP(EA), eV:	-8.67(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CN=CC=C7)/NN4

DOS

IR

Vibrations