Geometry & MOs

Info

ID:	287017
PubChem CID:	104231696
Reduced:	ClN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	280.097855
ΔH_f, kcal/mol:	-47.69
Dipole, Da:	2.38
IP(EA), eV:	-9.16(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=C(C(=CC=C2)OC)[C@@H](C)O)C)Cl

DOS

IR

Vibrations