Geometry & MOs

Info

ID:	309954
PubChem CID:	126570264
Reduced:	OC15H16 (1)
Stoich.:	AB15C16 (1)
Weight, g/mol:	495.249507
ΔH_f, kcal/mol:	-0.41
Dipole, Da:	3.68
IP(EA), eV:	-9.58(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[5-[(3Z)-3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CC2(C1)CC(=O)C3=CC=CC=C3C24CC4

DOS

IR

Vibrations