Geometry & MOs

Info

ID:	264847
PubChem CID:	103497598
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	238.240899
ΔH_f, kcal/mol:	-107.18
Dipole, Da:	3.07
IP(EA), eV:	-9.19(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperidine

Drug info:

PubChemData

Smile

CC(C(C)C(=O)O)C(=O)N1CCC2=C(C1C3CC3)C=CS2

DOS

IR

Vibrations