Geometry & MOs

Info

ID:	444219
PubChem CID:	135261747
Reduced:	O4N5C26H35 (1)
Stoich.:	A4B5C26D35 (1)
Weight, g/mol:	498.254338
ΔH_f, kcal/mol:	-134.06
Dipole, Da:	5.75
IP(EA), eV:	-8.92(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2Z)-2-(5-piperidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene)indol-4-yl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CN=C(C=C1)N2CCC(CC2)CN3CCN(CC3)C4=CN=C(C=C4)C(=O)O

DOS

IR

Vibrations