Geometry & MOs

Info

ID:	232411
PubChem CID:	87576141
Reduced:	ClO2N4C9H11 (1)
Stoich.:	AB2C4D9E11 (1)
Weight, g/mol:	322.099667
ΔH_f, kcal/mol:	-58.36
Dipole, Da:	1.77
IP(EA), eV:	-9.1(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-4-chloro-7-[1-(4-fluorophenyl)ethyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol

Drug info:

PubChemData

Smile

COC(=O)C[C@@H]1CNC2=C1C(=NC(=N2)N)Cl

DOS

IR

Vibrations