Geometry & MOs

Info

ID:	265406
PubChem CID:	103520078
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	315.050965
ΔH_f, kcal/mol:	-15.4
Dipole, Da:	4.7
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(2-chloro-6-nitrophenoxy)-4-oxopentanoate

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)NC2=CC=C(C=C2)C3=CC=NN3

DOS

IR

Vibrations