Geometry & MOs

Info

ID:	371741
PubChem CID:	131271440
Reduced:	ClSO3C7H13 (1)
Stoich.:	ABC3D7E13 (1)
Weight, g/mol:	207.105942
ΔH_f, kcal/mol:	-138.41
Dipole, Da:	6.49
IP(EA), eV:	-10.14(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(8-fluoro-3,4-dihydro-2H-chromen-7-yl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCOC1CC(C1)CS(=O)(=O)Cl

DOS

IR

Vibrations