Geometry & MOs

Info

ID:	401126
PubChem CID:	135050253
Reduced:	ClNO5C29H32 (1)
Stoich.:	ABC5D29E32 (1)
Weight, g/mol:	200.175244
ΔH_f, kcal/mol:	-156.7
Dipole, Da:	3.75
IP(EA), eV:	-9.37(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;(4aS,8aS)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-olate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Cl)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations