Geometry & MOs

Info

ID:	407680
PubChem CID:	135080431
Reduced:	O4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-146.7
Dipole, Da:	5.57
IP(EA), eV:	-9.11(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pentyl-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one

Drug info:

PubChemData

Smile

C[C@]1(C=C[C@@]2([C@@](O1)([C@H](CCC2(C)C)O)C)O)O

DOS

IR

Vibrations