Geometry & MOs

Info

ID:	29474
PubChem CID:	834077
Reduced:	ClNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	299.168543
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	2.22
IP(EA), eV:	-8.43(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine

Drug info:

PubChemData

Smile

CC(C)(CO)NCC1=CC(=C(C=C1)OCC2=CC=CC=C2Cl)OC

DOS

IR

Vibrations