Geometry & MOs

Info

ID:	198903
PubChem CID:	79169983
Reduced:	N3O4C12H21 (1)
Stoich.:	A3B4C12D21 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-180.04
Dipole, Da:	5.49
IP(EA), eV:	-9.13(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2CCC1CN(CC2)C(=O)NC(CO)C(=O)O

DOS

IR

Vibrations