Geometry & MOs

Info

ID:	186445
PubChem CID:	77434486
Reduced:	FO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	516.392708
ΔH_f, kcal/mol:	-141.28
Dipole, Da:	6.31
IP(EA), eV:	-9.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-methylpentadecanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)C(=CCF)C(=O)C)O

DOS

IR

Vibrations