Geometry & MOs

Info

ID:	288222
PubChem CID:	104313711
Reduced:	BrN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	337.09021
ΔH_f, kcal/mol:	80.92
Dipole, Da:	3.9
IP(EA), eV:	-9.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(CC1=CC=NC2=CC=CC=C12)C3=C(C=CC=N3)Br

DOS

IR

Vibrations