Geometry & MOs

Info

ID:	337868
PubChem CID:	127258491
Reduced:	NO5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-75.57
Dipole, Da:	4.19
IP(EA), eV:	-9.72(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-formyl-3-(3-nitrophenyl)prop-2-enyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC\1=CC=CC(=O)/C1=C\C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations