Geometry & MOs

Info

ID:	319916
PubChem CID:	126657570
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	520.269908
ΔH_f, kcal/mol:	-143.52
Dipole, Da:	5.89
IP(EA), eV:	-9.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyclopentyloxiran-2-yl)-5-[(3E)-3-(4-piperidin-1-ylbenzimidazol-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCN(CC2)O

DOS

IR

Vibrations