Geometry & MOs

Info

ID:	308539
PubChem CID:	125333434
Reduced:	SiO4C28H48 (1)
Stoich.:	AB4C28D48 (1)
Weight, g/mol:	269.996283
ΔH_f, kcal/mol:	-252.15
Dipole, Da:	1.24
IP(EA), eV:	-8.69(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,4-dichlorophenyl)methyl]-3H-pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC#CC[C@H](C)[C@@H](/C=C/[C@@H]1[C@@H](C[C@@H]2[C@H]1CC3(C2)OCC(CO3)(C)C)O[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations