Geometry & MOs

Info

ID:	208765
PubChem CID:	80581640
Reduced:	O2N3C9H17 (1)
Stoich.:	A2B3C9D17 (1)
Weight, g/mol:	281.056719
ΔH_f, kcal/mol:	-87.62
Dipole, Da:	4.68
IP(EA), eV:	-8.71(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-5-nitrophenyl)methyl]-3-ethylimidazol-2-one

Drug info:

PubChemData

Smile

CCCN1C=CN(C1=O)CC(CN)O

DOS

IR

Vibrations