Geometry & MOs

Info

ID:	141085
PubChem CID:	52816079
Reduced:	ClN2O4C25H33 (1)
Stoich.:	AB2C4D25E33 (1)
Weight, g/mol:	443.254597
ΔH_f, kcal/mol:	-139.41
Dipole, Da:	2.57
IP(EA), eV:	-8.11(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-2-methoxyphenoxy]ethyl-diethylazanium

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=C(C=CC(=C1)NC(=O)C2(CCOCC2)C3=CC(=CC=C3)Cl)OC

DOS

IR

Vibrations