Geometry & MOs

Info

ID:	308708
PubChem CID:	126522404
Reduced:	N2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	529.233857
ΔH_f, kcal/mol:	8.87
Dipole, Da:	2.88
IP(EA), eV:	-8.27(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC=C2C3CCCC(C3)N

DOS

IR

Vibrations