Geometry & MOs

Info

ID:	281353
PubChem CID:	103913747
Reduced:	FN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	223.139471
ΔH_f, kcal/mol:	25.53
Dipole, Da:	1.21
IP(EA), eV:	-9.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-N-[(1S)-1-phenylethyl]propan-1-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NCC2=C(C=CC(=C2)F)C#N

DOS

IR

Vibrations