Geometry & MOs

Info

ID:	222662
PubChem CID:	85307923
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-67.5
Dipole, Da:	2.33
IP(EA), eV:	-9.32(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-1-(methoxymethyl)-3-methyl-2H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=CCC=O)CCC1C(O1)(C)C

DOS

IR

Vibrations