Geometry & MOs

Info

ID:	287007
PubChem CID:	104231686
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-54.22
Dipole, Da:	3.01
IP(EA), eV:	-8.92(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)C2=C(C(=CC=C2)OC)[C@H](C)O)C

DOS

IR

Vibrations