Geometry & MOs

Info

ID:	396045
PubChem CID:	135027268
Reduced:	O2N5C11H11 (1)
Stoich.:	A2B5C11D11 (1)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	23.59
Dipole, Da:	10.84
IP(EA), eV:	-9.26(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-1-nitro-2-phenylpropan-2-yl]-5-phenylfuran-3-one

Drug info:

PubChemData

Smile

CN1C=NC2=C1NC(=NC2=O)NCC3=CC=CO3

DOS

IR

Vibrations