Geometry & MOs

Info

ID:	429706
PubChem CID:	135169757
Reduced:	O2N5H25C44 (1)
Stoich.:	A2B5C25D44 (1)
Weight, g/mol:	359.08254
ΔH_f, kcal/mol:	204.12
Dipole, Da:	1.35
IP(EA), eV:	-8.47(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC5=CC=CC=C5C=C4C6=C3C7=C(C=C6)N=C(O7)C8=CC=CC=C8)C9=CC1=C(C=C9)C2=CC=CC=C2O1

DOS

IR

Vibrations