Geometry & MOs

Info

ID:	373165
PubChem CID:	131310937
Reduced:	BrON2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	172.132411
ΔH_f, kcal/mol:	7.26
Dipole, Da:	5.89
IP(EA), eV:	-9.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-6-(methylamino)-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)[C@H](CC#N)N)O

DOS

IR

Vibrations