Geometry & MOs

Info

ID:	291472
PubChem CID:	112665254
Reduced:	SN3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	275.114399
ΔH_f, kcal/mol:	-4.49
Dipole, Da:	2.93
IP(EA), eV:	-8.24(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-fluorophenyl)propyl]-3-methylsulfanylaniline

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)N(C)CCSC)CNC(C)(C)C

DOS

IR

Vibrations