Geometry & MOs

Info

ID:	134809
PubChem CID:	51761617
Reduced:	N2O4C27H42 (1)
Stoich.:	A2B4C27D42 (1)
Weight, g/mol:	468.262422
ΔH_f, kcal/mol:	-192.37
Dipole, Da:	6.66
IP(EA), eV:	-8.86(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-hexylamino]-N-butyl-2-(3-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1CCCCC1)C(=O)NCCCC)C(=O)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations