Geometry & MOs

Info

ID:	176528
PubChem CID:	76062985
Reduced:	NSO3C32H41 (1)
Stoich.:	ABC3D32E41 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-70.22
Dipole, Da:	6.8
IP(EA), eV:	-8.31(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-3-methyl-1,2,3,5,6,6a,10a,10b-octahydrobenzo[f]quinoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(=C2CCC3C2(CCC4C3CC=C5C4(CCC(=C5)OCC(C)C)C)C)[N+]#[C-]

DOS

IR

Vibrations