Geometry & MOs

Info

ID:	227993
PubChem CID:	87563197
Reduced:	NO3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	342.04667
ΔH_f, kcal/mol:	-10.15
Dipole, Da:	4.45
IP(EA), eV:	-8.64(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-(2-bromo-3-ethoxy-3-oxopropyl)benzoate

Drug info:

PubChemData

Smile

C1C(C(=NO1)C(=O)O)C2=C3C=CC=CC3=CC4=CC=CC=C42

DOS

IR

Vibrations