Geometry & MOs

Info

ID:	264705
PubChem CID:	103484347
Reduced:	BrFN2O3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-66.56
Dipole, Da:	5.06
IP(EA), eV:	-9.38(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[cyclopropyl(furan-2-ylmethyl)amino]-4-oxopentanoate

Drug info:

PubChemData

Smile

CCCNC1CC(C1)OC2=CC(=C(C=C2[N+](=O)[O-])Br)F

DOS

IR

Vibrations