Geometry & MOs

Info

ID:	287041
PubChem CID:	104231720
Reduced:	ClN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	266.082205
ΔH_f, kcal/mol:	-37.72
Dipole, Da:	5.15
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(4-chloro-3-methylpyrazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CC1=NN(C=C1Cl)C2=C(C(=CC=C2)OC)[C@@H](C)O

DOS

IR

Vibrations