Geometry & MOs

Info

ID:	288238
PubChem CID:	104313963
Reduced:	BrFN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	351.10586
ΔH_f, kcal/mol:	8.93
Dipole, Da:	3.57
IP(EA), eV:	-9.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC=C1F)C2=C(C=CC=N2)Br

DOS

IR

Vibrations