Geometry & MOs

Info

ID:	291547
PubChem CID:	113436653
Reduced:	BrFON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-71.55
Dipole, Da:	1.66
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine

Drug info:

PubChemData

Smile

C1C[C@H](CNC1)NC(=O)C2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations