Geometry & MOs

Info

ID:	205919
PubChem CID:	80177023
Reduced:	ClO2S2N3C13H18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	225.220498
ΔH_f, kcal/mol:	-42.29
Dipole, Da:	4.02
IP(EA), eV:	-9.42(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CCC1(CCN(C1)S(=O)(=O)C2=C(N=C3N2C=CS3)Cl)CC

DOS

IR

Vibrations