Geometry & MOs

Info

ID:	242597
PubChem CID:	97857561
Reduced:	FNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	347.091532
ΔH_f, kcal/mol:	-125.3
Dipole, Da:	2.71
IP(EA), eV:	-8.94(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

C[C@H]1CCN(C[C@@H]1O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations