Geometry & MOs

Info

ID:	288321
PubChem CID:	104314971
Reduced:	FBr2N2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	399.97212
ΔH_f, kcal/mol:	2.1
Dipole, Da:	2.58
IP(EA), eV:	-9.21(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,5-dibromopyridin-2-yl)-2-(ethylamino)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations