Geometry & MOs

Info

ID:	287034
PubChem CID:	104231713
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	286.092912
ΔH_f, kcal/mol:	-52.1
Dipole, Da:	7.02
IP(EA), eV:	-9.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol

Drug info:

PubChemData

Smile

CCCC1=NC=CN1C2=C(C(=CC=C2)OC)[C@H](C)O

DOS

IR

Vibrations