Geometry & MOs

Info

ID:	27612
PubChem CID:	822562
Reduced:	ON2Cl3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	294.07712
ΔH_f, kcal/mol:	-93.25
Dipole, Da:	3.79
IP(EA), eV:	-9.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-(2-chlorophenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(=O)N[C@@H](C(Cl)(Cl)Cl)N1CCCCCC1

DOS

IR

Vibrations