Geometry & MOs

Info

ID:	212893
PubChem CID:	81062164
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	3.62
Dipole, Da:	3.27
IP(EA), eV:	-8.98(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CC1=CC(=CC=C1)C#CCN

DOS

IR

Vibrations