Geometry & MOs

Info

ID:	29481
PubChem CID:	834099
Reduced:	FNOC22H22 (1)
Stoich.:	ABCD22E22 (1)
Weight, g/mol:	231.108171
ΔH_f, kcal/mol:	-17.78
Dipole, Da:	1.85
IP(EA), eV:	-8.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(3-methylthiophen-2-yl)methyl]-1-phenylethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NCC2=CC=CC=C2OCC3=CC=C(C=C3)F

DOS

IR

Vibrations