Geometry & MOs

Info

ID:	337865
PubChem CID:	127258488
Reduced:	NO5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	327.110673
ΔH_f, kcal/mol:	-115.38
Dipole, Da:	4.04
IP(EA), eV:	-10.19(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations