Geometry & MOs

Info

ID:	868
PubChem CID:	3457
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-147.83
Dipole, Da:	4.63
IP(EA), eV:	-9.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCOCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC(=CC(=C2)C)C

DOS

IR

Vibrations