Geometry & MOs

Info

ID:	230147
PubChem CID:	87570299
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	630.216341
ΔH_f, kcal/mol:	-92.05
Dipole, Da:	1.56
IP(EA), eV:	-8.91(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methyl-3-[(E)-2-[1-[(E)-2-(10-methylphenothiazin-3-yl)ethenyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethenyl]phenothiazine

Drug info:

PubChemData

Smile

CCOC(=O)C(C)CCCC1=C(C=CC(=C1)C2=CC=CC=C2)N=C=O

DOS

IR

Vibrations