Geometry & MOs

Info

ID:	409355
PubChem CID:	135082135
Reduced:	N4O8C33H35 (1)
Stoich.:	A4B8C33D35 (1)
Weight, g/mol:	158.128294
ΔH_f, kcal/mol:	-199.93
Dipole, Da:	4.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754609
Charge, e:	0

Chem-info

IUPAC name:

lithium;(4aR)-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-olate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C(=O)N1CCOCC1)N2C(=O)C3=CC=CC=C3C2=O)C(=C)C[N+]4(CCOCC4)/C(=C/N5C(=O)C6=CC=CC=C6C5=O)/O

DOS

IR

Vibrations