Geometry & MOs

Info

ID:	30178
PubChem CID:	840452
Reduced:	ClN2O4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	190.146999
ΔH_f, kcal/mol:	-88.07
Dipole, Da:	7.28
IP(EA), eV:	-8.51(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-cyclopenta[b]quinolin-9-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)NN=CC2=CC(=C(C=C2)O)O

DOS

IR

Vibrations