Geometry & MOs

Info

ID:	288229
PubChem CID:	104313816
Reduced:	BrF2N2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	401.95655
ΔH_f, kcal/mol:	-32.98
Dipole, Da:	4.89
IP(EA), eV:	-9.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-fluorophenyl)-1-(3-bromopyridin-2-yl)-N-ethylethanamine

Drug info:

PubChemData

Smile

CNC(C1=CC(=CC(=C1)F)F)C2=C(C=CC=N2)Br

DOS

IR

Vibrations