Geometry & MOs

Info

ID:	403990
PubChem CID:	135064086
Reduced:	O2N3H15C19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	261.074956
ΔH_f, kcal/mol:	31.85
Dipole, Da:	6.71
IP(EA), eV:	-9.5(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-2-(4-nitrophenyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)C#N)C(=O)OC

DOS

IR

Vibrations