Geometry & MOs

Info

ID:	21811
PubChem CID:	591409
Reduced:	NO3H7C8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	330.085186
ΔH_f, kcal/mol:	-119.61
Dipole, Da:	5.94
IP(EA), eV:	-9.48(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(phenoxycarbonylamino)ethyl 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(=O)NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations