Geometry & MOs

Info

ID:	287227
PubChem CID:	104234110
Reduced:	FN2O3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	255.127072
ΔH_f, kcal/mol:	-159.73
Dipole, Da:	3.78
IP(EA), eV:	-9.12(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(1-aminoethyl)-2-fluorophenoxy]acetate

Drug info:

PubChemData

Smile

CC(COC)NC(=O)COC1=C(C=C(C=C1)C(C)N)F

DOS

IR

Vibrations