Geometry & MOs

Info

ID:	287030
PubChem CID:	104231709
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	4.17
IP(EA), eV:	-9.15(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-methoxy-6-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC=C1OC)N2C=CC(=N2)C(C)C)O

DOS

IR

Vibrations