Geometry & MOs

Info

ID:	20822
PubChem CID:	585942
Reduced:	NO3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	386.147786
ΔH_f, kcal/mol:	-217.83
Dipole, Da:	7.49
IP(EA), eV:	-8.75(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NCCC1=CC2=C(C=C1)OC(C(O2)NC(=O)C)C3=CC(=C(C=C3)O)O

DOS

IR

Vibrations