Geometry & MOs

Info

ID:	243573
PubChem CID:	99226929
Reduced:	O2N3F4H15C19 (1)
Stoich.:	A2B3C4D15E19 (1)
Weight, g/mol:	372.120938
ΔH_f, kcal/mol:	-201.27
Dipole, Da:	6.58
IP(EA), eV:	-9.6(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-oxoethyl]-1-(3-fluorophenyl)-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)N2C=CC(=N2)C(=O)NCCC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations