Geometry & MOs

Info

ID:	282960
PubChem CID:	103948362
Reduced:	FON2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	298.15037
ΔH_f, kcal/mol:	-82.29
Dipole, Da:	3.95
IP(EA), eV:	-8.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CC(C)N(C)CCNCC1=C(C=CC(=C1)F)O

DOS

IR

Vibrations