Geometry & MOs

Info

ID:	286979
PubChem CID:	104231658
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-20.12
Dipole, Da:	4.65
IP(EA), eV:	-9.08(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC=C1OC)N2C=CC=N2)O

DOS

IR

Vibrations