Geometry & MOs

Info

ID:	54875
PubChem CID:	17389461
Reduced:	NOH24C27 (1)
Stoich.:	ABC24D27 (1)
Weight, g/mol:	471.273321
ΔH_f, kcal/mol:	76.69
Dipole, Da:	1.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.156515
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dipentylamino)acetamide;oxalic acid

Drug info:

PubChemData

Smile

C[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)/C=C\C4=CC=C(C=C4)OC

DOS

IR

Vibrations