Geometry & MOs

Info

ID:	55014
PubChem CID:	17389661
Reduced:	ClNC15H24 (1)
Stoich.:	ABC15D24 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-46.12
Dipole, Da:	3.85
IP(EA), eV:	-9.34(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylazepane;oxalic acid

Drug info:

PubChemData

Smile

CCC(C1CCCCCN1)C2=CC=CC=C2.Cl

DOS

IR

Vibrations