Geometry & MOs

Info

ID:	245911
PubChem CID:	103027916
Reduced:	OF3N3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-145.62
Dipole, Da:	5.08
IP(EA), eV:	-9.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxythiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(C2=NC=C(C=C2)C(F)(F)F)O

DOS

IR

Vibrations