Geometry & MOs

Info

ID:	258817
PubChem CID:	103157118
Reduced:	NO2C6H12 (2)
Stoich.:	AB2C6D12 (2)
Weight, g/mol:	251.168543
ΔH_f, kcal/mol:	-208.74
Dipole, Da:	3.82
IP(EA), eV:	-9.46(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[(4-fluorophenyl)methylamino]propan-2-ol

Drug info:

PubChemData

Smile

CC(CCC(=O)NCC(CC(=O)O)OC)CCN

DOS

IR

Vibrations