Geometry & MOs

Info

ID:	204883
PubChem CID:	80025546
Reduced:	NSC15H27 (1)
Stoich.:	ABC15D27 (1)
Weight, g/mol:	258.21297
ΔH_f, kcal/mol:	-20.64
Dipole, Da:	2.83
IP(EA), eV:	-8.63(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]butane-1-thiol

Drug info:

PubChemData

Smile

C1CCC2(CC1)CCN(CC2)CC3(CC3)CS

DOS

IR

Vibrations