Geometry & MOs

Info

ID:	313142
PubChem CID:	126612205
Reduced:	NOH77C104 (1)
Stoich.:	ABC77D104 (1)
Weight, g/mol:	659.412715
ΔH_f, kcal/mol:	300.99
Dipole, Da:	2.35
IP(EA), eV:	-7.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,8-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-10-phenylphenoxazine

Drug info:

Smile

CC1(C2=C(C3=CC=CC=C3C=C2)C4=C1C=C5C6=C(C=C(C=C6)C7=CC8=C(C=C7)OC9=C(N8C1=C(C=C(C=C1C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1)C=C(C=C9)C1=CC2=C(C=C1)C1=CC3=C(C=C1C2(C)C)C1=C(C3(C)C)C=CC2=CC=CC=C21)C(C5=C4)(C)C)C

DOS

IR

Vibrations