Geometry & MOs

Info

ID:	13257
PubChem CID:	224468
Reduced:	NOCl2C6H9 (1)
Stoich.:	ABC2D6E9 (1)
Weight, g/mol:	181.006119
ΔH_f, kcal/mol:	-73.71
Dipole, Da:	5.91
IP(EA), eV:	-10.18(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dichloroazepan-2-one

Drug info:

PubChemData

Smile

C1CCNC(=O)C(C1)(Cl)Cl

DOS

IR

Vibrations