Geometry & MOs

Info

ID:	315198
PubChem CID:	126624884
Reduced:	O2N3C18H33 (1)
Stoich.:	A2B3C18D33 (1)
Weight, g/mol:	214.074228
ΔH_f, kcal/mol:	-148.4
Dipole, Da:	3.43
IP(EA), eV:	-9.71(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclooctatetraenyl)-4-hydroxy-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)NC(=O)NC2CCCCCCC2

DOS

IR

Vibrations