Geometry & MOs

Info

ID:	393871
PubChem CID:	135021847
Reduced:	O2N3H13C15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	75.87
Dipole, Da:	5.36
IP(EA), eV:	-8.74(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-acetylfuran-2-yl)prop-2-ynyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CN(C)/C=C(\C#N)/C1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-]

DOS

IR

Vibrations