Geometry & MOs

Info

ID:	233396
PubChem CID:	89855453
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	266.079038
ΔH_f, kcal/mol:	-90.91
Dipole, Da:	3.82
IP(EA), eV:	-9.56(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-formyloxypropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(N2CC1N(C2=O)OCC=C)C(=O)OC

DOS

IR

Vibrations