Geometry & MOs

Info

ID:	340525
PubChem CID:	127262536
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	314.087827
ΔH_f, kcal/mol:	-64.17
Dipole, Da:	4.15
IP(EA), eV:	-8.96(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl 1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OC)OC(=O)C2=CNN=C2

DOS

IR

Vibrations