Geometry & MOs

Info

ID:	362056
PubChem CID:	127305593
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	41.34
Dipole, Da:	3.91
IP(EA), eV:	-9.01(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CN2CCC1CC2)C(=O)C3=CC4=NNN=C4C=C3

DOS

IR

Vibrations