Geometry & MOs

Info

ID:	279766
PubChem CID:	103845091
Reduced:	SN3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	241.103355
ΔH_f, kcal/mol:	16.76
Dipole, Da:	3.43
IP(EA), eV:	-8.61(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)CNC2CCCCC2SC

DOS

IR

Vibrations