Geometry & MOs

Info

ID:	149605
PubChem CID:	53789279
Reduced:	N3O5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	280.058303
ΔH_f, kcal/mol:	-174.55
Dipole, Da:	6.11
IP(EA), eV:	-9.04(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-prop-2-enoyloxyethoxy)phthalic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CCCN2N1C(=O)C(CCC2)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations