Geometry & MOs

Info

ID:	429621
PubChem CID:	135169670
Reduced:	OF3N9H18C21 (1)
Stoich.:	AB3C9D18E21 (1)
Weight, g/mol:	274.95734
ΔH_f, kcal/mol:	1.83
Dipole, Da:	3.9
IP(EA), eV:	-8.34(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-6-(1,5-dihydrotriazol-2-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1N2NCC=N2)C)NC(=O)C3=C(N(N=C3)C4=CC=CC5=NC=CN54)C(F)(F)F

DOS

IR

Vibrations