Geometry & MOs

Info

ID:	232409
PubChem CID:	87576139
Reduced:	ClON6C17H19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	242.057053
ΔH_f, kcal/mol:	28.65
Dipole, Da:	5.8
IP(EA), eV:	-9.09(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(N=C1C)C#N)CN2CC(C3=C2N=C(N=C3Cl)N)CO)C

DOS

IR

Vibrations