Geometry & MOs

Info

ID:	403969
PubChem CID:	135063684
Reduced:	NH9C11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	414.02152
ΔH_f, kcal/mol:	111.79
Dipole, Da:	3.45
IP(EA), eV:	-8.64(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-(4-bromophenyl)-2-phenylpyrazole-3,4-dicarboxylate

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations