Geometry & MOs

Info

ID:	257665
PubChem CID:	103147800
Reduced:	F2N2O2C9H12 (1)
Stoich.:	A2B2C2D9E12 (1)
Weight, g/mol:	302.180584
ΔH_f, kcal/mol:	-152.97
Dipole, Da:	3.72
IP(EA), eV:	-10.13(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol

Drug info:

PubChemData

Smile

C1=CN=C(C=N1)C(CCOCC(F)F)O

DOS

IR

Vibrations