Geometry & MOs

Info

ID:	406641
PubChem CID:	135078242
Reduced:	IO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	413.06002
ΔH_f, kcal/mol:	-37.41
Dipole, Da:	3.95
IP(EA), eV:	-9.04(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)N(C1=O)C)N(C)CC2=CC=CC=C2I

DOS

IR

Vibrations