Geometry & MOs

Info

ID:	309608
PubChem CID:	126550730
Reduced:	F3N3H5C8 (2)
Stoich.:	A3B3C5D8 (2)
Weight, g/mol:	618.241962
ΔH_f, kcal/mol:	-197.37
Dipole, Da:	9.13
IP(EA), eV:	-9.86(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-(9-propan-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)NC2=CC(=NC=C2)C(F)(F)F)C3=NC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations