Geometry & MOs

Info

ID:	412136
PubChem CID:	135085010
Reduced:	NPO2H38C40 (1)
Stoich.:	ABC2D38E40 (1)
Weight, g/mol:	520.228044
ΔH_f, kcal/mol:	-22.64
Dipole, Da:	0.51
IP(EA), eV:	-8.31(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate;propan-2-ol;titanium

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C3=CC(=CC(=C3OP(O2)N([C@@H](C)C4=CC=CC5=CC=CC=C54)[C@@H](C)C6=CC=CC7=CC=CC=C76)C)C)C

DOS

IR

Vibrations