Geometry & MOs

Info

ID:	412264
PubChem CID:	135085148
Reduced:	AlN2O3C36H54 (1)
Stoich.:	AB2C3D36E54 (1)
Weight, g/mol:	571.384417
ΔH_f, kcal/mol:	-124.4
Dipole, Da:	7.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.035192
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)O[Al]OC3=C(C=C(C=C3C(C)(C)C)C(C)(C)C)C=N[C@H]4CCCC[C@@H]4N=C2.O

DOS

IR

Vibrations