Geometry & MOs

Info

ID:	32467
PubChem CID:	7837318
Reduced:	N3O5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	356.100836
ΔH_f, kcal/mol:	-115.34
Dipole, Da:	12.24
IP(EA), eV:	-9.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-2-oxooxolan-3-yl] 4-(benzylamino)-3-nitrobenzoate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)N

DOS

IR

Vibrations