Geometry & MOs

Info

ID:

313407

PubChem CID:

126614511

Reduced:

SN3H29C43 (1)

Stoich.:

AB3C29D43 (1)

Weight, g/mol:

606.241962

ΔHf, kcal/mol:

204.72

Dipole, Da:

3.15

IP(EA), eV:

 -8.1(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-10-[2-phenyl-4-(4-phenylphenyl)-1,3,5-triazabicyclo[3.1.0]hexan-6-yl]naphtho[2,1-g][1,3]benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC3=C(S2)C=CC4=C3C5=C(C=C4)C=C(C=C5)C6=CC=C(C=C6)C7=NC(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations