Geometry & MOs

Info

ID:	183389
PubChem CID:	77015734
Reduced:	ON2C7H14 (2)
Stoich.:	AB2C7D14 (2)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	4.37
IP(EA), eV:	-8.78(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(3-methylbutan-2-yl)-6-oxo-5H-pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C)C(=O)N1CCN(CC1)C(C)(C)C(=NO)N

DOS

IR

Vibrations