Geometry & MOs

Info

ID:	12868
PubChem CID:	147371
Reduced:	NO3C5H6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	256.069536
ΔH_f, kcal/mol:	-158.19
Dipole, Da:	6.23
IP(EA), eV:	-9.95(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-acetamido-4-nitrofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC(=C(O1)NC(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations