Geometry & MOs

Info

ID:	337860
PubChem CID:	127258483
Reduced:	N2O7C11H18 (1)
Stoich.:	A2B7C11D18 (1)
Weight, g/mol:	307.120843
ΔH_f, kcal/mol:	-289.06
Dipole, Da:	7.1
IP(EA), eV:	-10.59(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6Z)-6-[(2-cyanophenyl)methylidene]-5-oxocyclohexa-1,3-dien-1-yl]methyl butanoate

Drug info:

PubChemData

Smile

CCC(C(=O)N(C(C)CC(=O)O)OCC(=O)N)C(=O)O

DOS

IR

Vibrations