Geometry & MOs

Info

ID:	394045
PubChem CID:	135022211
Reduced:	N2O2H10C13 (1)
Stoich.:	A2B2C10D13 (1)
Weight, g/mol:	292.131074
ΔH_f, kcal/mol:	41.96
Dipole, Da:	2.36
IP(EA), eV:	-8.9(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]prop-2-ynyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=[N+](C=CC(=C2)C#N)[O-]

DOS

IR

Vibrations