Geometry & MOs

Info

ID:	246939
PubChem CID:	103065712
Reduced:	ClN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	215.071306
ΔH_f, kcal/mol:	-33.77
Dipole, Da:	5.02
IP(EA), eV:	-9.5(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(chloromethyl)prop-2-enyl]azepane-2,7-dione

Drug info:

PubChemData

Smile

C=C(CN1C(=O)CCC2=C1C=CC(=C2)[N+](=O)[O-])CCl

DOS

IR

Vibrations