Geometry & MOs

Info

ID:	279881
PubChem CID:	103845505
Reduced:	NOSC15H25 (1)
Stoich.:	ABCD15E25 (1)
Weight, g/mol:	265.204179
ΔH_f, kcal/mol:	-48.72
Dipole, Da:	3.85
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-ethoxyphenyl)methylamino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CC=C(C=C1)SC)CO

DOS

IR

Vibrations