Geometry & MOs

Info

ID:	204790
PubChem CID:	80008403
Reduced:	SN2C9H20 (1)
Stoich.:	AB2C9D20 (1)
Weight, g/mol:	244.19732
ΔH_f, kcal/mol:	-7.65
Dipole, Da:	3.16
IP(EA), eV:	-8.75(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]butane-1-thiol

Drug info:

PubChemData

Smile

CN1CCC(C1)CN(C)CCS

DOS

IR

Vibrations