Geometry & MOs

Info

ID:	386763
PubChem CID:	134982834
Reduced:	NOH14C22 (2)
Stoich.:	ABC14D22 (2)
Weight, g/mol:	284.156501
ΔH_f, kcal/mol:	161.34
Dipole, Da:	3.8
IP(EA), eV:	-8.61(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2,6-dimethylcyclohexa-1,3-dien-1-yl)anthracene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/2\C(=C\N3C4=CC=CC=C4C(=O)C5=CC=CC=C53)\C(=C2N6C7=CC=CC=C7C(=O)C8=CC=CC=C86)C9=CC=CC=C9

DOS

IR

Vibrations