Geometry & MOs

Info

ID:	27988
PubChem CID:	824660
Reduced:	Cl2N2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	182.105528
ΔH_f, kcal/mol:	-2.68
Dipole, Da:	0.68
IP(EA), eV:	-10.07(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)C(C)(C)C)Cl

DOS

IR

Vibrations