Geometry & MOs

Info

ID:	287622
PubChem CID:	104249031
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-99.77
Dipole, Da:	1.22
IP(EA), eV:	-9.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-2-(2-methoxypropyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC(=O)C1(CC1)C2=NC(=NO2)CC3CCCCO3

DOS

IR

Vibrations