Geometry & MOs

Info

ID:	444238
PubChem CID:	135261826
Reduced:	NOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	464.153164
ΔH_f, kcal/mol:	13.93
Dipole, Da:	5.2
IP(EA), eV:	-8.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(3Z)-3-(4-thiophen-3-ylindol-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

Drug info:

PubChemData

Smile

COC1=CC=CC\2=C1CCC/C2=C/C#N

DOS

IR

Vibrations