Geometry & MOs

Info

ID:	195412
PubChem CID:	78683318
Reduced:	ClN2O5H15C18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	329.069782
ΔH_f, kcal/mol:	-90.2
Dipole, Da:	9.92
IP(EA), eV:	-9.67(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2,3-dichlorophenyl)methyl-methylamino]propanoyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations