Geometry & MOs

Info

ID:	212687
PubChem CID:	81061514
Reduced:	BFNO3C13H21 (1)
Stoich.:	ABCD3E13F21 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-238.39
Dipole, Da:	3.47
IP(EA), eV:	-9.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-2-[2-ethoxyethyl(methyl)amino]ethanol

Drug info:

PubChemData

Smile

B(C1=C(C=CC(=C1)F)CN(C)CCOC(C)C)(O)O

DOS

IR

Vibrations