Geometry & MOs

Info

ID:	49164
PubChem CID:	11528778
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	11.79
Dipole, Da:	4.92
IP(EA), eV:	-8.42(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-heptyl-1H-furo[2,3-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCCCCON1C(=[N+](C2=CC=CC=C21)[O-])C

DOS

IR

Vibrations