Geometry & MOs

Info

ID:	288177
PubChem CID:	104312670
Reduced:	BrClN4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	387.9409
ΔH_f, kcal/mol:	58.22
Dipole, Da:	2.83
IP(EA), eV:	-8.87(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-fluorophenyl)-1-(5-bromopyridin-2-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CNC(C1=NC=C(C=C1)Br)C2=C(N=CC(=C2)Cl)N

DOS

IR

Vibrations