Geometry & MOs

Info

ID:	220351
PubChem CID:	85177324
Reduced:	FN3O4C9H16 (1)
Stoich.:	AB3C4D9E16 (1)
Weight, g/mol:	247.105587
ΔH_f, kcal/mol:	-226.75
Dipole, Da:	3.1
IP(EA), eV:	-9.82(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-[(2-methylpropan-2-yl)oxy]-4-nitro-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1C(CCN)OCCO)F

DOS

IR

Vibrations