Geometry & MOs

Info

ID:	422733
PubChem CID:	135118316
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	346.105288
ΔH_f, kcal/mol:	-59.36
Dipole, Da:	5.22
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)CN3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations