Geometry & MOs

Info

ID:	194121
PubChem CID:	78486401
Reduced:	BrO3N4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	338.195405
ΔH_f, kcal/mol:	-7.86
Dipole, Da:	7.15
IP(EA), eV:	-9.99(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)C(=O)OC(C)C(=O)C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations