Geometry & MOs

Info

ID:	287028
PubChem CID:	104231707
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-9.43
Dipole, Da:	3.46
IP(EA), eV:	-9.21(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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)C3CC3)O

DOS

IR

Vibrations