Geometry & MOs

Info

ID:	406639
PubChem CID:	135078240
Reduced:	IO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	399.04437
ΔH_f, kcal/mol:	-29.13
Dipole, Da:	4.08
IP(EA), eV:	-9.17(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=O)N(C1=O)C)N(C)CC2=CC=CC=C2I

DOS

IR

Vibrations