Geometry & MOs

Info

ID:	332842
PubChem CID:	127251266
Reduced:	ON6C24H32 (1)
Stoich.:	AB6C24D32 (1)
Weight, g/mol:	418.175339
ΔH_f, kcal/mol:	34.42
Dipole, Da:	2.2
IP(EA), eV:	-8.21(-0.37)
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]-(1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)NC1=NNC2=C1C=CC(=N2)C3CCN(C3)CC4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations