Geometry & MOs

Info

ID:	35684
PubChem CID:	7980196
Reduced:	NO3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	391.04192
ΔH_f, kcal/mol:	-132.7
Dipole, Da:	4.81
IP(EA), eV:	-9.06(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)COC2=CC=CC=C2)C

DOS

IR

Vibrations