Geometry & MOs

Info

ID:	309029
PubChem CID:	126535042
Reduced:	N9C23H23 (1)
Stoich.:	A9B23C23 (1)
Weight, g/mol:	464.176087
ΔH_f, kcal/mol:	197.12
Dipole, Da:	9.22
IP(EA), eV:	-8.07(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2Z)-2-[5-[5-(dimethylamino)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]indol-4-yl]-5-fluorophenol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=C6)CN)NN4)/N=C23

DOS

IR

Vibrations