Geometry & MOs

Info

ID:	46667
PubChem CID:	10526119
Reduced:	NO3C27H33 (1)
Stoich.:	AB3C27D33 (1)
Weight, g/mol:	419.339944
ΔH_f, kcal/mol:	-66.44
Dipole, Da:	6.33
IP(EA), eV:	-9.0(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-2-(hydroxymethyl)-4-(4-tridecylphenyl)butan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1/C(=N\OCC3CC3)/C4=CC=C(C=C4)C(=O)O)C(CCC2(C)C)(C)C

DOS

IR

Vibrations