Geometry & MOs

Info

ID:	442981
PubChem CID:	135257259
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	182.141913
ΔH_f, kcal/mol:	-16.75
Dipole, Da:	3.64
IP(EA), eV:	-8.58(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5R)-3-methyl-3-azabicyclo[3.2.1]octan-6-yl]acetamide

Drug info:

PubChemData

Smile

C1CC2C(NC1)OC3=CC=CC=C23

DOS

IR

Vibrations