Geometry & MOs

Info

ID:	372485
PubChem CID:	131298435
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	227.087705
ΔH_f, kcal/mol:	-39.73
Dipole, Da:	3.53
IP(EA), eV:	-8.33(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chloro-3-fluorophenyl)cyclopentyl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1C(=O)NC2=CC=CC=C2N1

DOS

IR

Vibrations