Geometry & MOs

Info

ID:	279882
PubChem CID:	103845507
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-91.9
Dipole, Da:	2.27
IP(EA), eV:	-8.62(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[[(E)-3-phenylprop-2-enyl]amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CC=CC=C1OCC)CO

DOS

IR

Vibrations