Geometry & MOs

Info

ID:	254479
PubChem CID:	103125551
Reduced:	N2O2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	219.064391
ΔH_f, kcal/mol:	-77.35
Dipole, Da:	3.01
IP(EA), eV:	-8.64(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1CCCC1N2C=CNC2=O

DOS

IR

Vibrations