Geometry & MOs

Info

ID:	223386
PubChem CID:	85334950
Reduced:	ClO3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	-58.06
Dipole, Da:	7.03
IP(EA), eV:	-9.16(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C1=CC3=CC=CO3)C=CC(=C2)Cl)CC(=O)O

DOS

IR

Vibrations