Geometry & MOs

Info

ID:	29348
PubChem CID:	833225
Reduced:	O3N4H16C19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	342.119127
ΔH_f, kcal/mol:	5.13
Dipole, Da:	3.66
IP(EA), eV:	-8.71(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-3,4-dimethyl-6-oxo-2-phenyl-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)N=NC3=C(NC4=CC=CC=C43)O

DOS

IR

Vibrations