Geometry & MOs

Info

ID:	212665
PubChem CID:	81061423
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	-28.38
Dipole, Da:	3.24
IP(EA), eV:	-8.66(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCN(C)CC1=C(C=CC(=C1)OC)C#CCN

DOS

IR

Vibrations