Geometry & MOs

Info

ID:	207747
PubChem CID:	80444356
Reduced:	SN3C17H33 (1)
Stoich.:	AB3C17D33 (1)
Weight, g/mol:	226.240899
ΔH_f, kcal/mol:	-29.27
Dipole, Da:	3.55
IP(EA), eV:	-8.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-3-methylpentan-2-amine

Drug info:

PubChemData

Smile

CCC(C)C1=C(SC(=N1)N(C)C(C)CC(C)C)CNCC

DOS

IR

Vibrations