Geometry & MOs

Info

ID:	175320
PubChem CID:	75882784
Reduced:	NO3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	373.00755
ΔH_f, kcal/mol:	-42.08
Dipole, Da:	2.28
IP(EA), eV:	-8.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenoxy]propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC=C(C=C3)OCCC(=O)O

DOS

IR

Vibrations