Geometry & MOs

Info

ID:	134811
PubChem CID:	51761732
Reduced:	N2O5C25H34 (1)
Stoich.:	A2B5C25D34 (1)
Weight, g/mol:	482.278072
ΔH_f, kcal/mol:	-179.82
Dipole, Da:	5.86
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-hexylamino]-N-butyl-2-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1=CC=CO1)C(=O)NCCCC)C(=O)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations