Geometry & MOs

Info

ID:	225965
PubChem CID:	87246496
Reduced:	NF3O4C25H30 (1)
Stoich.:	AB3C4D25E30 (1)
Weight, g/mol:	244.012948
ΔH_f, kcal/mol:	-287.73
Dipole, Da:	5.45
IP(EA), eV:	-9.5(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-5-(trifluoromethyl)pyrazol-3-yl] methanesulfonate

Drug info:

PubChemData

Smile

CCNC(=O)CCC/C=C/CC1C(=O)CC=C1/C=C/C(COC2=CC=CC(=C2)C(F)(F)F)O

DOS

IR

Vibrations