Geometry & MOs

Info

ID:	131210
PubChem CID:	51175762
Reduced:	NO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	312.099774
ΔH_f, kcal/mol:	-114.52
Dipole, Da:	2.09
IP(EA), eV:	-8.74(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxyphenyl) 1-oxo-3,4-dihydroisochromene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)N

DOS

IR

Vibrations