Geometry & MOs

Info

ID:	404127
PubChem CID:	135065099
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	326.082205
ΔH_f, kcal/mol:	24.32
Dipole, Da:	3.63
IP(EA), eV:	-8.33(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-chlorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=[N+](N(C(=C1)C2=CC=CC=C2)CCC)[O-]

DOS

IR

Vibrations