Geometry & MOs

Info

ID:	49124
PubChem CID:	11528736
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	3.84
IP(EA), eV:	-9.01(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1C[C@@H](CNC1)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations