Geometry & MOs

Info

ID:	212837
PubChem CID:	81061985
Reduced:	OSN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	9.6
Dipole, Da:	3.13
IP(EA), eV:	-8.87(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CC1=CC(=CS1)C#CCN

DOS

IR

Vibrations