Geometry & MOs

Info

ID:	435810
PubChem CID:	135192480
Reduced:	ClO2F5N10H26C28 (1)
Stoich.:	AB2C5D10E26F28 (1)
Weight, g/mol:	243.033003
ΔH_f, kcal/mol:	-181.55
Dipole, Da:	11.09
IP(EA), eV:	-8.7(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-(4-chloro-2-methylphenyl)-2-methyl-1H-triazole

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC=CC(=C2)C3=C(C=NN3C(F)F)NC1=O)N4C=NC(=CC4=O)C5=C(N=CC(=C5)Cl)N(/C=C(/C(F)(F)F)\N)N

DOS

IR

Vibrations