Geometry & MOs

Info

ID:	204845
PubChem CID:	80017622
Reduced:	SN4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	201.155121
ΔH_f, kcal/mol:	38.74
Dipole, Da:	2.18
IP(EA), eV:	-8.6(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(2-methylpyrrolidin-1-yl)pentane-1-thiol

Drug info:

PubChemData

Smile

C1CN(CCN1CCCS)C2=NC=CC=N2

DOS

IR

Vibrations