Geometry & MOs

Info

ID:	246193
PubChem CID:	103048453
Reduced:	ClFNSC15H17 (1)
Stoich.:	ABCDE15F17 (1)
Weight, g/mol:	245.09827
ΔH_f, kcal/mol:	-16.17
Dipole, Da:	2.36
IP(EA), eV:	-8.96(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-fluorophenyl)-4-methoxy-N-methylbutan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CC1=C(C=CC(=C1)Cl)F)C2=CSC=C2

DOS

IR

Vibrations