Geometry & MOs

Info

ID:	287068
PubChem CID:	104231747
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-47.97
Dipole, Da:	4.3
IP(EA), eV:	-9.0(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CCC1=CC(=NN1C2=C(C(=CC=C2)OC)[C@@H](C)O)CC

DOS

IR

Vibrations