Geometry & MOs

Info

ID:	362047
PubChem CID:	127305584
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-92.77
Dipole, Da:	5.63
IP(EA), eV:	-9.09(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyclopentylsulfonyl-N-methylacetamide

Drug info:

PubChemData

Smile

CN(C1CN2CCC1CC2)C(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations