Geometry & MOs

Info

ID:	288271
PubChem CID:	104314502
Reduced:	Br3N4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	393.87063
ΔH_f, kcal/mol:	59.33
Dipole, Da:	4.62
IP(EA), eV:	-7.97(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-fluorophenyl)-(3,5-dibromopyridin-2-yl)methanamine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(C2=C(C=C(C=N2)Br)Br)N)C

DOS

IR

Vibrations