Geometry & MOs

Info

ID:	343484
PubChem CID:	127266657
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-53.5
Dipole, Da:	5.97
IP(EA), eV:	-8.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CN(N=N2)CC3CCC(=O)O3

DOS

IR

Vibrations