Geometry & MOs

Info

ID:	412336
PubChem CID:	135085226
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	316.219101
ΔH_f, kcal/mol:	-100.8
Dipole, Da:	1.53
IP(EA), eV:	-7.44(0.95)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

1,4-bis(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene

Drug info:

PubChemData

Smile

CC(C)(C)[NH+]1C=CN(C1[C-](O)O)C(C)(C)C

DOS

IR

Vibrations