Geometry & MOs

Info

ID:	287009
PubChem CID:	104231688
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	286.092912
ΔH_f, kcal/mol:	-44.21
Dipole, Da:	3.12
IP(EA), eV:	-9.35(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2=C(C(=CC=C2)OC)C(C)O

DOS

IR

Vibrations