Geometry & MOs

Info

ID:	202651
PubChem CID:	79705830
Reduced:	BFO2N3C9H9 (1)
Stoich.:	ABC2D3E9F9 (1)
Weight, g/mol:	288.163791
ΔH_f, kcal/mol:	-123.86
Dipole, Da:	3.97
IP(EA), eV:	-10.25(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethoxyphenyl)-(5-fluoropyridin-2-yl)methyl]propan-2-amine

Drug info:

PubChemData

Smile

B(C1=CC(=CC(=C1)F)CN2C=NC=N2)(O)O

DOS

IR

Vibrations