Geometry & MOs

Info

ID:	448918
PubChem CID:	135294496
Reduced:	O3C25H40 (1)
Stoich.:	A3B25C40 (1)
Weight, g/mol:	376.218449
ΔH_f, kcal/mol:	-169.95
Dipole, Da:	1.88
IP(EA), eV:	-8.51(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-1-thiophen-2-ylpropyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC12CCC/C(=C\C=C\3/CC(CCC3=C)O)/C1CCC2COCCC(C)(C)O

DOS

IR

Vibrations