Geometry & MOs

Info

ID:	205392
PubChem CID:	80094368
Reduced:	O2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	-59.59
Dipole, Da:	3.36
IP(EA), eV:	-8.98(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-hydroxyphenyl)methyl]-1-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC=CC=C1)C(=O)CC2=CC(=CC=C2)O

DOS

IR

Vibrations