Geometry & MOs

Info

ID:	282031
PubChem CID:	103914683
Reduced:	ClSN2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	237.128427
ΔH_f, kcal/mol:	41.79
Dipole, Da:	3.6
IP(EA), eV:	-9.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Cl)NC(C)C2=CN=CS2

DOS

IR

Vibrations