Geometry & MOs

Info

ID:	263747
PubChem CID:	103394848
Reduced:	BrFNOSC16H19 (1)
Stoich.:	ABCDEF16G19 (1)
Weight, g/mol:	345.11036
ΔH_f, kcal/mol:	-42.76
Dipole, Da:	5.23
IP(EA), eV:	-8.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,3-dimethyl-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=CC(=C(C=C1OC)F)Br)C2=CSC=C2C

DOS

IR

Vibrations