Geometry & MOs

Info

ID:	288196
PubChem CID:	104313417
Reduced:	BrN3C15H16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	295.97159
ΔH_f, kcal/mol:	54.99
Dipole, Da:	3.24
IP(EA), eV:	-9.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyridin-2-yl)-(4-chlorophenyl)methanamine

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC=N2)C(C3=C(C=CC=N3)Br)N

DOS

IR

Vibrations