Geometry & MOs

Info

ID:	23310
PubChem CID:	603046
Reduced:	IN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	386.01274
ΔH_f, kcal/mol:	-85.5
Dipole, Da:	4.66
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(4-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)I)C(=O)OC

DOS

IR

Vibrations