Geometry & MOs

Info

ID:	309402
PubChem CID:	126546026
Reduced:	NH31C39 (1)
Stoich.:	AB31C39 (1)
Weight, g/mol:	377.32938
ΔH_f, kcal/mol:	147.39
Dipole, Da:	2.08
IP(EA), eV:	-7.94(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(cyclohexylmethyl)-2-oxa-5-azabicyclo[2.2.2]octan-7-yl]-1-(2-methylcyclopentyl)pentan-1-ol

Drug info:

PubChemData

Smile

C/C=C\C=C\1/C(N(C2=C(C=C(C=C12)C3=CC4=CC=CC=C4C=C3)C5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7)C

DOS

IR

Vibrations