Geometry & MOs

Info

ID:	184237
PubChem CID:	77131277
Reduced:	FON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	238.095357
ΔH_f, kcal/mol:	-60.13
Dipole, Da:	3.61
IP(EA), eV:	-8.47(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-2-nitro-6-pyrrolidin-2-ylphenol

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)C(CN)N)F

DOS

IR

Vibrations