Geometry & MOs

Info

ID:	212812
PubChem CID:	81061884
Reduced:	BFNO3C13H21 (1)
Stoich.:	ABCD3E13F21 (1)
Weight, g/mol:	264.163791
ΔH_f, kcal/mol:	-236.58
Dipole, Da:	2.98
IP(EA), eV:	-9.14(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[[2-ethoxyethyl(methyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations