Geometry & MOs

Info

ID:	288301
PubChem CID:	104314854
Reduced:	ClBr2N4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	465.85141
ΔH_f, kcal/mol:	56.94
Dipole, Da:	3.73
IP(EA), eV:	-8.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-fluorophenyl)-(3,5-dibromopyridin-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=C(N=CC(=C1)Cl)N)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations