Geometry & MOs

Info

ID:	28214
PubChem CID:	826329
Reduced:	NC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	243.108171
ΔH_f, kcal/mol:	52.62
Dipole, Da:	5.84
IP(EA), eV:	-9.13(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2-phenylsulfanylphenyl)propan-2-amine

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)C#N

DOS

IR

Vibrations