Geometry & MOs

Info

ID:	138918
PubChem CID:	52442953
Reduced:	ClN4O4C19H23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	452.222369
ΔH_f, kcal/mol:	-162.98
Dipole, Da:	5.34
IP(EA), eV:	-9.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-6-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(NC(=O)N[C@H]1C2=CC(=CC=C2)Cl)CN3CCC(CC3)C(=O)N

DOS

IR

Vibrations