Geometry & MOs

Info

ID:	234518
PubChem CID:	92298598
Reduced:	OI2N2H18C21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	439.084945
ΔH_f, kcal/mol:	64.48
Dipole, Da:	2.32
IP(EA), eV:	-8.63(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-anilino-3-chloro-4aH-naphtho[3,2-a]phenoxazin-14-ium-8,13-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC[C@H](CN2C3=C(C=C(C=C3)I)C4=C2C=CC(=C4)I)O

DOS

IR

Vibrations