Geometry & MOs

Info

ID:	32529
PubChem CID:	7842174
Reduced:	FN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	416.153621
ΔH_f, kcal/mol:	-104.92
Dipole, Da:	4.21
IP(EA), eV:	-9.31(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)ethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC[C@H](C)NC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations