Geometry & MOs

Info

ID:	200847
PubChem CID:	79452648
Reduced:	ClFNC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	315.070531
ΔH_f, kcal/mol:	-40.79
Dipole, Da:	2.68
IP(EA), eV:	-9.1(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]-1-ethyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(C)CC1(CNC1)CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations