Geometry & MOs

Info

ID:	289695
PubChem CID:	104367763
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	262.002383
ΔH_f, kcal/mol:	-77.63
Dipole, Da:	6.58
IP(EA), eV:	-8.49(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(trifluoromethyl)pyrazol-1-yl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1CCN(CC1)C2=CSC(=C2)C(=O)O

DOS

IR

Vibrations