Geometry & MOs

Info

ID:	404135
PubChem CID:	135065112
Reduced:	SN2F3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	360.183778
ΔH_f, kcal/mol:	-69.28
Dipole, Da:	6.31
IP(EA), eV:	-9.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[(E)-2-(4-methylphenyl)ethenyl]-3-phenylpyrazole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C(F)(F)F)C3=CC=CS3

DOS

IR

Vibrations