Geometry & MOs

Info

ID:	288306
PubChem CID:	104314878
Reduced:	BrNC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	423.92206
ΔH_f, kcal/mol:	43.41
Dipole, Da:	1.97
IP(EA), eV:	-8.76(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dibromopyridin-2-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations