Geometry & MOs

Info

ID:	367038
PubChem CID:	127322970
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-21.46
Dipole, Da:	1.72
IP(EA), eV:	-9.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)C(C)C)C(=O)N2CCOC(C2)CN3C=CC=N3

DOS

IR

Vibrations