Geometry & MOs

Info

ID:	200348
PubChem CID:	79376469
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	4.09
IP(EA), eV:	-9.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-3-methylbutyl)-2-methoxy-6-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)CN2C(=O)C=C(N=C2OC)C)C

DOS

IR

Vibrations