Geometry & MOs

Info

ID:	227303
PubChem CID:	87561151
Reduced:	ClN3O3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	266.057053
ΔH_f, kcal/mol:	-75.91
Dipole, Da:	3.56
IP(EA), eV:	-9.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1(CO)O)C2=NC(=NC3=C2OC=C3)Cl

DOS

IR

Vibrations