Geometry & MOs

Info

ID:	232151
PubChem CID:	87575607
Reduced:	ClO2N6C20H25 (1)
Stoich.:	AB2C6D20E25 (1)
Weight, g/mol:	416.172752
ΔH_f, kcal/mol:	-31.75
Dipole, Da:	3.17
IP(EA), eV:	-8.97(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-4-chloro-7-[(4,5,6-trimethylpyridin-3-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CN=C1C)CN2C[C@@H](C3=C2N=C(N=C3Cl)N)CC(=O)NC4COC4)C

DOS

IR

Vibrations