Geometry & MOs

Info

ID:	254449
PubChem CID:	103125352
Reduced:	BrON4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	195.137162
ΔH_f, kcal/mol:	55.11
Dipole, Da:	3.42
IP(EA), eV:	-8.67(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-methylpiperidin-2-yl)methyl]-1H-imidazol-2-one

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Br)C(=O)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations