Geometry & MOs

Info

ID:	320048
PubChem CID:	126658095
Reduced:	OSN2C21H42 (1)
Stoich.:	ABC2D21E42 (1)
Weight, g/mol:	418.4287
ΔH_f, kcal/mol:	-108.55
Dipole, Da:	1.07
IP(EA), eV:	-8.62(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-2-[5-(2-tert-butylpiperidin-1-yl)-2,5-dimethylhexan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

Drug info:

PubChemData

Smile

CC(C)N1CSCC1C(C)(C)CCC(C)(C)N2COCC2C(C)(C)C

DOS

IR

Vibrations