Geometry & MOs

Info

ID:	288165
PubChem CID:	104312394
Reduced:	BrN4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	329.99795
ΔH_f, kcal/mol:	78.32
Dipole, Da:	2.89
IP(EA), eV:	-9.38(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromopyridin-2-yl)-[2-(trifluoromethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(C2=NC=C(C=C2)Br)N

DOS

IR

Vibrations