Geometry & MOs

Info

ID:	380356
PubChem CID:	134970779
Reduced:	O5C18H18 (1)
Stoich.:	A5B18C18 (1)
Weight, g/mol:	216.138839
ΔH_f, kcal/mol:	-134.83
Dipole, Da:	4.71
IP(EA), eV:	-9.41(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5aS,9aS,10R)-10-methyl-5a,6,7,8,9,10-hexahydro-5H-benzo[g]quinolin-8-ylium-9a-ol

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@@H](C=CC(O1)C#CC2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations