Geometry & MOs

Info

ID:	188342
PubChem CID:	77702118
Reduced:	N3O3C22H43 (1)
Stoich.:	A3B3C22D43 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-210.96
Dipole, Da:	4.3
IP(EA), eV:	-9.46(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-quinolin-3-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC(=O)N1CCCCC1OC(=O)NCCCCCN

DOS

IR

Vibrations