Geometry & MOs

Info

ID:	246207
PubChem CID:	103049563
Reduced:	ClFN2O2C12H12 (1)
Stoich.:	ABC2D2E12F12 (1)
Weight, g/mol:	297.165956
ΔH_f, kcal/mol:	-118.63
Dipole, Da:	4.97
IP(EA), eV:	-9.54(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

C1CC(=O)N(C(=O)C1N)CC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations