Geometry & MOs

Info

ID:	176998
PubChem CID:	76123390
Reduced:	O5C14H16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	351.256215
ΔH_f, kcal/mol:	-180.46
Dipole, Da:	4.6
IP(EA), eV:	-9.02(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-3-methyl-4-(4,5,6-trimethyl-3-methylidenepyridin-2-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1C=CC2=C1C=CC(=C2)OC3C(C(C(O3)CO)O)O

DOS

IR

Vibrations