Geometry & MOs

Info

ID:	378526
PubChem CID:	134224613
Reduced:	S3O4N6C23H38 (1)
Stoich.:	A3B4C6D23E38 (1)
Weight, g/mol:	195.105942
ΔH_f, kcal/mol:	-118.58
Dipole, Da:	7.08
IP(EA), eV:	-8.41(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)N1CCC2=C(C1)N(N=C2C(C)C)CC(C)(C)S(=O)(=O)N3CCC4=C(C3)NNC4=S

DOS

IR

Vibrations