Geometry & MOs

Info

ID:	404264
PubChem CID:	135065630
Reduced:	OSiN2F3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	407.163377
ΔH_f, kcal/mol:	-160.59
Dipole, Da:	2.95
IP(EA), eV:	-9.37(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(4-cyanophenyl)-5-(2-methylphenyl)pyrazol-3-yl]benzoate

Drug info:

PubChemData

Smile

C[Si](C)(C)CCOCN1C(=C(C=N1)C2=CC=CC=C2C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations