Geometry & MOs

Info

ID:	83599
PubChem CID:	49858543
Reduced:	FNO2C21H22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-101.31
Dipole, Da:	1.93
IP(EA), eV:	-8.83(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-ethyl-3,6-dimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](O[C@]2(C1)C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)F)C

DOS

IR

Vibrations