Geometry & MOs

Info

ID:	287188
PubChem CID:	104233940
Reduced:	FN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	193.090292
ΔH_f, kcal/mol:	-145.14
Dipole, Da:	3.83
IP(EA), eV:	-9.06(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-prop-2-ynoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)C(C)OC1=C(C=C(C=C1)C(C)N)F

DOS

IR

Vibrations