Geometry & MOs

Info

ID:	286986
PubChem CID:	104231665
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-41.15
Dipole, Da:	2.9
IP(EA), eV:	-9.25(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(3,5-dimethylpyrazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C(=CC=C2)OC)C(C)O)C

DOS

IR

Vibrations