Geometry & MOs

Info

ID:	162974
PubChem CID:	57581115
Reduced:	ON7C23H25 (1)
Stoich.:	AB7C23D25 (1)
Weight, g/mol:	490.222957
ΔH_f, kcal/mol:	94.02
Dipole, Da:	5.65
IP(EA), eV:	-8.51(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-[2-(dimethylamino)ethyl]-2-(5-isoquinolin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene)-N-methylbenzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCNCC1=CC(=CN=C1)C2=CC3=C(NN=C3N=C2)C4NC5=C(N4)C=C(C=C5)OC

DOS

IR

Vibrations