Geometry & MOs

Info

ID:	254536
PubChem CID:	103125967
Reduced:	BrN3O3H8C10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	168.126263
ΔH_f, kcal/mol:	-5.43
Dipole, Da:	5.92
IP(EA), eV:	-9.06(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-dimethylbutan-2-yl)-1H-imidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])N2C=CNC2=O)Br

DOS

IR

Vibrations