Geometry & MOs

Info

ID:	52596
PubChem CID:	12015531
Reduced:	OC18H20 (1)
Stoich.:	AB18C20 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	-5.33
Dipole, Da:	3.03
IP(EA), eV:	-9.23(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,4S,4aS,8aS)-4-ethynyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)C(CC)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations