Geometry & MOs

Info

ID:	272013
PubChem CID:	103716893
Reduced:	NSF3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	291.143471
ΔH_f, kcal/mol:	-134.52
Dipole, Da:	4.93
IP(EA), eV:	-8.83(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-1-phenylethanamine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(F)(F)F)NCCSCC=C

DOS

IR

Vibrations