Geometry & MOs

Info

ID:	124807
PubChem CID:	50896769
Reduced:	F3N3C8H12 (1)
Stoich.:	A3B3C8D12 (1)
Weight, g/mol:	253.106256
ΔH_f, kcal/mol:	-138.88
Dipole, Da:	2.83
IP(EA), eV:	-9.43(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyclopentyl-5-nitropyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)C(C(F)(F)F)N

DOS

IR

Vibrations