Geometry & MOs

Info

ID:	412215
PubChem CID:	135085098
Reduced:	AlNC21H45 (1)
Stoich.:	ABC21D45 (1)
Weight, g/mol:	272.211629
ΔH_f, kcal/mol:	-105.92
Dipole, Da:	1.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760404
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(CCCC(N1[Al-](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C)C)C

DOS

IR

Vibrations