Geometry & MOs

Info

ID:	447057
PubChem CID:	135279878
Reduced:	N2H38C59 (1)
Stoich.:	A2B38C59 (1)
Weight, g/mol:	524.111398
ΔH_f, kcal/mol:	262.26
Dipole, Da:	1.66
IP(EA), eV:	-7.75(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-7-(7-phenylbenzo[c]carbazol-10-yl)-10H-phenothiazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)N5C6=CC=CC=C6C7=CC=CC8=C7C5=C4C=C8)C9=CC=CC1=C9C2=CC=CC=C2C1(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations