Geometry & MOs

Info

ID:	183280
PubChem CID:	77001242
Reduced:	BrN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-114.94
Dipole, Da:	5.35
IP(EA), eV:	-9.3(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(dimethylamino)phenyl]-6-hydroxy-5-propyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCCC1C(NC(NC1=O)C2=C(C=CC(=C2)Br)OC)O

DOS

IR

Vibrations