Geometry & MOs

Info

ID:	28863
PubChem CID:	830118
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-176.09
Dipole, Da:	2.72
IP(EA), eV:	-9.0(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2C(=C(NC(=O)N2)C)C(=O)OCCC(C)C

DOS

IR

Vibrations