Geometry & MOs

Info

ID:	336807
PubChem CID:	127255814
Reduced:	NOH4F5C7 (1)
Stoich.:	ABC4D5E7 (1)
Weight, g/mol:	300.072177
ΔH_f, kcal/mol:	-260.22
Dipole, Da:	0.88
IP(EA), eV:	-10.81(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=C(C(=CN=C1F)F)C(C(F)(F)F)O

DOS

IR

Vibrations