Geometry & MOs

Info

ID:	442432
PubChem CID:	135252035
Reduced:	NO6C15H23 (1)
Stoich.:	AB6C15D23 (1)
Weight, g/mol:	410.165523
ΔH_f, kcal/mol:	-256.14
Dipole, Da:	4.01
IP(EA), eV:	-8.77(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[(3Z)-3-[4-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]-N-(methylideneamino)prop-1-en-1-amine

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CN(C=CC1)C2C([C@H]([C@H](O2)CO)O)O

DOS

IR

Vibrations