Geometry & MOs

Info

ID:	232410
PubChem CID:	87576140
Reduced:	ClO2N4C9H11 (1)
Stoich.:	AB2C4D9E11 (1)
Weight, g/mol:	242.057053
ΔH_f, kcal/mol:	-57.79
Dipole, Da:	3.02
IP(EA), eV:	-9.13(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5S)-2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)CC1CNC2=C1C(=NC(=N2)N)Cl

DOS

IR

Vibrations