Geometry & MOs

Info

ID:	449690
PubChem CID:	135300663
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	345.084852
ΔH_f, kcal/mol:	-111.28
Dipole, Da:	4.06
IP(EA), eV:	-8.77(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl] propanoate

Drug info:

PubChemData

Smile

CN[C@@H](CCC1=CC=C(C=C1)OC)C(=O)O

DOS

IR

Vibrations