Geometry & MOs

Info

ID:	298530
PubChem CID:	117650619
Reduced:	ON4H9C12 (2)
Stoich.:	AB4C9D12 (2)
Weight, g/mol:	534.27701
ΔH_f, kcal/mol:	157.57
Dipole, Da:	5.45
IP(EA), eV:	-8.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1,4-dimethoxy-4-(4-methylphenyl)cyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxy-6-(4-methylphenyl)cyclohexa-1,4-diene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NO2)CN3C=C(C=N3)NC(=O)C4=NNC5=C4C=CC(=C5)C6=CNN=C6

DOS

IR

Vibrations