Geometry & MOs

Info

ID:	328930
PubChem CID:	126729283
Reduced:	N2O2H30C43 (1)
Stoich.:	A2B2C30D43 (1)
Weight, g/mol:	607.225977
ΔH_f, kcal/mol:	118.57
Dipole, Da:	2.48
IP(EA), eV:	-8.58(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC=C(C=C3)C4=NC(=NC(=C4)C5=CC=CC=C5)C6=CC=CC=C6)OC7=C1C=CC8=C7OC9=CC=CC=C89)C

DOS

IR

Vibrations