Geometry & MOs

Info

ID:	201312
PubChem CID:	79522639
Reduced:	F2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	258.039831
ΔH_f, kcal/mol:	-35.65
Dipole, Da:	4.7
IP(EA), eV:	-8.94(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide

Drug info:

PubChemData

Smile

CNC(C1=C(C=CN=C1)N)C2=C(C=CC=C2F)F

DOS

IR

Vibrations