Geometry & MOs

Info

ID:	279914
PubChem CID:	103845639
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-24.18
Dipole, Da:	7.58
IP(EA), eV:	-8.87(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-4-methylphenol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=C(N(C(=C1)C#N)C)C)CO

DOS

IR

Vibrations