Geometry & MOs

Info

ID:	198902
PubChem CID:	79169871
Reduced:	BrNOC15H24 (1)
Stoich.:	ABCD15E24 (1)
Weight, g/mol:	271.153206
ΔH_f, kcal/mol:	-54.55
Dipole, Da:	3.98
IP(EA), eV:	-8.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCOC1=C(N=C(C=C1)C)CBr

DOS

IR

Vibrations