Geometry & MOs

Info

ID:	194113
PubChem CID:	78484179
Reduced:	ClON2C26H29 (1)
Stoich.:	ABC2D26E29 (1)
Weight, g/mol:	423.240959
ΔH_f, kcal/mol:	122.31
Dipole, Da:	3.66
IP(EA), eV:	-4.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-cyclopentyloxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=C(C=C4)Cl

DOS

IR

Vibrations