Geometry & MOs

Info

ID:	150809
PubChem CID:	53790505
Reduced:	O2F3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	292.080769
ΔH_f, kcal/mol:	-258.8
Dipole, Da:	2.06
IP(EA), eV:	-10.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[1-ethyl-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylideneamino] acetate

Drug info:

PubChemData

Smile

CCC(CC)COC(=O)CC1=CC=C(C=C1)C(F)(F)F

DOS

IR

Vibrations