Geometry & MOs

Info

ID:	232250
PubChem CID:	87575811
Reduced:	BrTeH5C8 (1)
Stoich.:	ABC5D8 (1)
Weight, g/mol:	487.209866
ΔH_f, kcal/mol:	45.21
Dipole, Da:	1.12
IP(EA), eV:	-8.4(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(5S)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C[Te]2)C=C1Br

DOS

IR

Vibrations