Geometry & MOs

Info

ID:	188578
PubChem CID:	77736751
Reduced:	O2C11H17 (2)
Stoich.:	A2B11C17 (2)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-224.24
Dipole, Da:	4.67
IP(EA), eV:	-9.61(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-prop-1-ynyl-1-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCC2C1(CCC3C2C(C=C4C3(CCCC4)C)O)C)O

DOS

IR

Vibrations