Geometry & MOs

Info

ID:	184168
PubChem CID:	77123268
Reduced:	BrON3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	355.05315
ΔH_f, kcal/mol:	-26.36
Dipole, Da:	4.78
IP(EA), eV:	-8.79(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(2-methyl-5-nitrophenyl)-6-propyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCN(CC)CCC1=NC(=O)C(C(=N1)C(C)C)Br

DOS

IR

Vibrations