Geometry & MOs

Info

ID:	52598
PubChem CID:	12015533
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-21.61
Dipole, Da:	3.98
IP(EA), eV:	-8.88(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@]([C@H]2CCCC[C@@H]2N1)(C#C)NC(=O)C

DOS

IR

Vibrations