Geometry & MOs

Info

ID:	328929
PubChem CID:	126729273
Reduced:	N2O2H28C37 (1)
Stoich.:	A2B2C28D37 (1)
Weight, g/mol:	606.230728
ΔH_f, kcal/mol:	86.93
Dipole, Da:	5.43
IP(EA), eV:	-8.62(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC(N=C(N3)C4=CC=CC=C4)C5=CC=CC=C5)OC6=C1C=CC7=C6OC8=CC=CC=C78)C

DOS

IR

Vibrations