Geometry & MOs

Info

ID:	258665
PubChem CID:	103156160
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	255.194677
ΔH_f, kcal/mol:	-154.64
Dipole, Da:	4.5
IP(EA), eV:	-9.9(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)CC(COC2=CN=CC(=C2)C(=O)O)O

DOS

IR

Vibrations