Geometry & MOs

Info

ID:	212979
PubChem CID:	81062436
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-145.96
Dipole, Da:	7.36
IP(EA), eV:	-9.54(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=CC(=CC=C1)C(=O)O

DOS

IR

Vibrations