Geometry & MOs

Info

ID:	332844
PubChem CID:	127251268
Reduced:	FOSN6H21C22 (1)
Stoich.:	ABCD6E21F22 (1)
Weight, g/mol:	448.168145
ΔH_f, kcal/mol:	36.47
Dipole, Da:	5.79
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations