Geometry & MOs

Info

ID:	337256
PubChem CID:	127256821
Reduced:	NO6C16H19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	307.105587
ΔH_f, kcal/mol:	-148.88
Dipole, Da:	3.86
IP(EA), eV:	-8.87(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(4,5-diethoxy-2-nitrophenyl)methylidene]oxolan-2-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)/C=C\2/CC(OC2=O)C)[N+](=O)[O-])OCC

DOS

IR

Vibrations