Geometry & MOs

Info

ID:	429624
PubChem CID:	135169673
Reduced:	ClOF3N9H15C20 (1)
Stoich.:	ABC3D9E15F20 (1)
Weight, g/mol:	270.97049
ΔH_f, kcal/mol:	-7.96
Dipole, Da:	5.9
IP(EA), eV:	-9.33(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-nitro-6-(triazol-2-yl)-1,2-dihydropyridine

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1NC(=O)/C(=C/N)/C(=N/C2=CC=CC3=NC=CN32)/C(F)(F)F)Cl)N4N=CC=N4

DOS

IR

Vibrations