Geometry & MOs

Info

ID:	201706
PubChem CID:	79569673
Reduced:	ClSN2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	254.235814
ΔH_f, kcal/mol:	-72.75
Dipole, Da:	6.68
IP(EA), eV:	-9.22(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1S(=O)(=O)NC2=C(C=C(C=C2)Cl)C)C)N

DOS

IR

Vibrations