Geometry & MOs

Info

ID:	283144
PubChem CID:	103960360
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	5.32
Dipole, Da:	2.64
IP(EA), eV:	-9.09(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1N2C=C(C=N2)C)O

DOS

IR

Vibrations