Geometry & MOs

Info

ID:	266408
PubChem CID:	103565184
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	279.219829
ΔH_f, kcal/mol:	-146.92
Dipole, Da:	8.71
IP(EA), eV:	-9.8(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-propan-2-ylcyclobutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1CC(C1)N2CCNC(=O)C2CC(=O)O

DOS

IR

Vibrations