Geometry & MOs

Info

ID:	426448
PubChem CID:	135144195
Reduced:	ON4H30C49 (1)
Stoich.:	AB4C30D49 (1)
Weight, g/mol:	589.280321
ΔH_f, kcal/mol:	229.99
Dipole, Da:	0.85
IP(EA), eV:	-8.31(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-10-[4-[4-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]phenothiazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C4C5=CC=CC=C5OC4=CC=C3)C6=CC(=CC=C6)N7C8=CC=CC=C8C9=C7C=C(C=C9)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations