Geometry & MOs

Info

ID:	343482
PubChem CID:	127266655
Reduced:	N3O4C15H19 (1)
Stoich.:	A3B4C15D19 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	-102.1
Dipole, Da:	3.55
IP(EA), eV:	-8.61(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations