Geometry & MOs

Info

ID:	272058
PubChem CID:	103722169
Reduced:	BrON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-10.54
Dipole, Da:	1.52
IP(EA), eV:	-9.15(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxo-1,3-diazinan-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1(CC1)CNC(=O)C2=CC(=CN2C)Br

DOS

IR

Vibrations