Geometry & MOs

Info

ID:	263745
PubChem CID:	103394773
Reduced:	BrFNOSC16H19 (1)
Stoich.:	ABCDEF16G19 (1)
Weight, g/mol:	331.09471
ΔH_f, kcal/mol:	-50.87
Dipole, Da:	4.7
IP(EA), eV:	-8.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-propylpentan-1-amine

Drug info:

PubChemData

Smile

CCNC(C1=CC(=C(C=C1OC)F)Br)C2=CC(=C(S2)C)C

DOS

IR

Vibrations