Geometry & MOs

Info

ID:	279912
PubChem CID:	103845615
Reduced:	OSN2C13H24 (1)
Stoich.:	ABC2D13E24 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-52.1
Dipole, Da:	2.81
IP(EA), eV:	-9.42(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NC=C(S1)CNCC(CC)(CC)CO

DOS

IR

Vibrations