Geometry & MOs

Info

ID:	404350
PubChem CID:	135065925
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	378.09914
ΔH_f, kcal/mol:	14.16
Dipole, Da:	4.44
IP(EA), eV:	-9.21(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(4-fluorophenyl)-3-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)/C(=C/C1=CC=CC=C1)/N=[N+]=[N-]

DOS

IR

Vibrations