Geometry & MOs

Info

ID:	288263
PubChem CID:	104314455
Reduced:	Br2N2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	388.96737
ΔH_f, kcal/mol:	38.36
Dipole, Da:	1.99
IP(EA), eV:	-9.71(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

C=CCCCC(C1=C(C=C(C=N1)Br)Br)N

DOS

IR

Vibrations