Geometry & MOs

Info

ID:	85716
PubChem CID:	49878458
Reduced:	N2O2C9H9 (2)
Stoich.:	A2B2C9D9 (2)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-46.12
Dipole, Da:	8.1
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5,6-dimethyl-3H-furo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC3=NC=NC(=C23)N4CCC(CC4)C(=O)O

DOS

IR

Vibrations