Geometry & MOs

Info

ID:	404129
PubChem CID:	135065101
Reduced:	ClN2O2H19C24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	15.53
Dipole, Da:	6.87
IP(EA), eV:	-9.09(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-nitrophenyl)-4-propyl-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations