Geometry & MOs

Info

ID:	309875
PubChem CID:	126563630
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	503.248524
ΔH_f, kcal/mol:	66.25
Dipole, Da:	4.75
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-5-[(3Z)-3-[4-(2-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]-N-(3-methylbut-1-en-2-yl)hepta-1,3,5-trien-3-amine

Drug info:

PubChemData

Smile

C1CN2C(=C(N=N2)CO)C3=CC=CC=C3N1CC4=CC=CC=C4

DOS

IR

Vibrations