Geometry & MOs

Info

ID:	287402
PubChem CID:	104240637
Reduced:	NO2C15H31 (1)
Stoich.:	AB2C15D31 (1)
Weight, g/mol:	272.132491
ΔH_f, kcal/mol:	-121.07
Dipole, Da:	1.69
IP(EA), eV:	-8.72(1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCNC(CCCOCCOC)C1CCCC1

DOS

IR

Vibrations