Geometry & MOs

Info

ID:	131005
PubChem CID:	51143552
Reduced:	ClN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	358.10842
ΔH_f, kcal/mol:	-47.64
Dipole, Da:	7.6
IP(EA), eV:	-9.32(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)Cl)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

DOS

IR

Vibrations