Geometry & MOs

Info

ID:	287020
PubChem CID:	104231699
Reduced:	BrN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	324.04734
ΔH_f, kcal/mol:	-38.15
Dipole, Da:	2.44
IP(EA), eV:	-9.29(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(4-bromo-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)Br

DOS

IR

Vibrations