Geometry & MOs

Info

ID:	162253
PubChem CID:	57394066
Reduced:	O8H18C19 (1)
Stoich.:	A8B18C19 (1)
Weight, g/mol:	443.136887
ΔH_f, kcal/mol:	-238.91
Dipole, Da:	3.53
IP(EA), eV:	-8.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylphenoxy)-N-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC(=CC(=C3)O)O)OC)OC)OC

DOS

IR

Vibrations