Geometry & MOs

Info

ID:	328915
PubChem CID:	126729190
Reduced:	O2N3H29C42 (1)
Stoich.:	A2B3C29D42 (1)
Weight, g/mol:	607.225977
ΔH_f, kcal/mol:	132.02
Dipole, Da:	2.22
IP(EA), eV:	-8.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(7,7-dimethyl-[1]benzofuro[3,2-c]xanthen-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(C=C2)C4=CC=CC=C4O3)OC5=C1C=C(C=C5)C6=CC=C(C=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C

DOS

IR

Vibrations