Geometry & MOs

Info

ID:	255119
PubChem CID:	103130104
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	298.112899
ΔH_f, kcal/mol:	10.16
Dipole, Da:	4.84
IP(EA), eV:	-8.79(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(difluoromethoxy)-3-ethoxyphenyl]-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2(CCN(C2)C3CC3)O

DOS

IR

Vibrations