Geometry & MOs

Info

ID:	263778
PubChem CID:	103397281
Reduced:	ClFNO2H9C13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	283.140614
ΔH_f, kcal/mol:	-67.74
Dipole, Da:	6.02
IP(EA), eV:	-9.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluoro-4-methoxyphenyl)-(thiolan-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)C2=C(C=NC=C2)Cl)F

DOS

IR

Vibrations