Geometry & MOs

Info

ID:	309099
PubChem CID:	126537067
Reduced:	N2H24C39 (1)
Stoich.:	A2B24C39 (1)
Weight, g/mol:	263.043709
ΔH_f, kcal/mol:	198.48
Dipole, Da:	2.42
IP(EA), eV:	-8.63(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-3-fluoro-2-methylphenyl)-5-(difluoromethyl)-1,2-dihydrotriazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC5=C4C6(C7=CC=CC=C57)C8=CC=CC=C8C9=CC=CC=C69

DOS

IR

Vibrations