Geometry & MOs

Info

ID:	201833
PubChem CID:	79590927
Reduced:	ClFBr2H10C17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	304.134241
ΔH_f, kcal/mol:	9.88
Dipole, Da:	1.34
IP(EA), eV:	-9.24(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminoethyl)-5-[1-(3-chlorophenyl)ethyl-methylamino]phenol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2Br)C(C3=C(C=C(C=C3)F)Cl)Br

DOS

IR

Vibrations