Geometry & MOs

Info

ID:	132180
PubChem CID:	51315760
Reduced:	ClO3N4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	385.082934
ΔH_f, kcal/mol:	-62.79
Dipole, Da:	5.21
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC

DOS

IR

Vibrations