Geometry & MOs

Info

ID:	55145
PubChem CID:	17389817
Reduced:	ClNC12H18 (1)
Stoich.:	ABC12D18 (1)
Weight, g/mol:	315.215806
ΔH_f, kcal/mol:	-27.9
Dipole, Da:	0.98
IP(EA), eV:	-9.07(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethylpiperazin-1-yl)methyl]azepane;oxalic acid

Drug info:

PubChemData

Smile

C1CCNC(C1)CC2=CC=CC=C2.Cl

DOS

IR

Vibrations