Geometry & MOs

Info

ID:	337874
PubChem CID:	127258497
Reduced:	FO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-262.02
Dipole, Da:	6.07
IP(EA), eV:	-9.91(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enyl] butanoate

Drug info:

PubChemData

Smile

CCC(C(=O)C(C1=CC=C(C=C1)F)C(C)CC(=O)O)C(=O)O

DOS

IR

Vibrations