Geometry & MOs

Info

ID:	52599
PubChem CID:	12015534
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-119.05
Dipole, Da:	2.3
IP(EA), eV:	-9.02(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,4R,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(=O)C)NC(=O)C

DOS

IR

Vibrations