Geometry & MOs

Info

ID:	343486
PubChem CID:	127266659
Reduced:	O2F3N4H11C12 (1)
Stoich.:	A2B3C4D11E12 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-153.81
Dipole, Da:	3.04
IP(EA), eV:	-10.02(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CO)N2C=C(N=N2)CNC(=O)C(F)(F)F

DOS

IR

Vibrations