Geometry & MOs

Info

ID:	55049
PubChem CID:	17389701
Reduced:	NO4C11H19 (1)
Stoich.:	AB4C11D19 (1)
Weight, g/mol:	279.034833
ΔH_f, kcal/mol:	-193.54
Dipole, Da:	11.19
IP(EA), eV:	-9.66(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenyl)azepane;hydrochloride

Drug info:

PubChemData

Smile

C1CCNC(C1)C2CCC2.C(=O)(C(=O)O)O

DOS

IR

Vibrations