Geometry & MOs

Info

ID:	286981
PubChem CID:	104231660
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-13.35
Dipole, Da:	6.32
IP(EA), eV:	-9.53(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-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=NC=N2)O

DOS

IR

Vibrations