Geometry & MOs

Info

ID:	264707
PubChem CID:	103484423
Reduced:	BrFO3N4H6C10 (1)
Stoich.:	ABC3D4E6F10 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	4.66
Dipole, Da:	6.62
IP(EA), eV:	-9.45(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[cyclopropyl(cyclopropylmethyl)amino]-4-oxopentanoate

Drug info:

PubChemData

Smile

C1=CC(=NN=C1N)OC2=CC(=C(C=C2[N+](=O)[O-])Br)F

DOS

IR

Vibrations