Geometry & MOs

Info

ID:	292838
PubChem CID:	117360519
Reduced:	NOSH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	243.089327
ΔH_f, kcal/mol:	19.02
Dipole, Da:	3.85
IP(EA), eV:	-8.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,6-difluoro-3-methylsulfanylphenyl)cyclopropyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=CC(=C2)C3(CC3)N=C=O)C

DOS

IR

Vibrations