Geometry & MOs

Info

ID:	319608
PubChem CID:	126656780
Reduced:	ON2C32H54 (1)
Stoich.:	AB2C32D54 (1)
Weight, g/mol:	332.319149
ΔH_f, kcal/mol:	-58.83
Dipole, Da:	4.44
IP(EA), eV:	-8.09(1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-azabicyclo[4.1.0]heptan-3-yl)-2-methylpropyl]-6-tert-butyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)C1C2CCCC2C(N1)CC(C)(CC3CC4=C(C3)CN(C4)C(C)(C)C)C5C6CCCC6O5

DOS

IR

Vibrations