Geometry & MOs

Info

ID:	270594
PubChem CID:	103637208
Reduced:	BrFNOC16H17 (1)
Stoich.:	ABCDE16F17 (1)
Weight, g/mol:	319.05718
ΔH_f, kcal/mol:	-59.47
Dipole, Da:	1.83
IP(EA), eV:	-8.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[1-(4-methylphenyl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)F)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations