Geometry & MOs

Info

ID:	291480
PubChem CID:	112704790
Reduced:	ClFNO2C11H11 (1)
Stoich.:	ABCD2E11F11 (1)
Weight, g/mol:	321.16079
ΔH_f, kcal/mol:	-117.94
Dipole, Da:	4.87
IP(EA), eV:	-9.93(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)butyl]-1-ethyltriazole

Drug info:

PubChemData

Smile

C1C(CC1(C(=O)O)N)(C2=CC=C(C=C2)Cl)F

DOS

IR

Vibrations