Geometry & MOs

Info

ID:	406638
PubChem CID:	135078239
Reduced:	BrN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	385.02872
ΔH_f, kcal/mol:	-89.64
Dipole, Da:	4.66
IP(EA), eV:	-9.0(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-iodophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN(CC1=C(C=CC(=C1)OC)Br)C2=CN(C(=O)N(C2=O)C)C

DOS

IR

Vibrations