Geometry & MOs

Info

ID:	55108
PubChem CID:	17389774
Reduced:	ClNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	209.097127
ΔH_f, kcal/mol:	-174.3
Dipole, Da:	12.31
IP(EA), eV:	-9.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)azepane

Drug info:

PubChemData

Smile

C1CCC(NCC1)C2=CC=CC=C2Cl.C(=O)(C(=O)O)O

DOS

IR

Vibrations