Geometry & MOs

Info

ID:	362051
PubChem CID:	127305588
Reduced:	ON7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	47.67
Dipole, Da:	10.82
IP(EA), eV:	-8.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CN2CCC1CC2)C(=O)C3CCN(CC3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations