Geometry & MOs

Info

ID:	201643
PubChem CID:	79565371
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	238.240899
ΔH_f, kcal/mol:	-67.19
Dipole, Da:	4.43
IP(EA), eV:	-9.44(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

C1CC(C(=O)C1)CCOC2=CC(=CN=C2)Cl

DOS

IR

Vibrations