Geometry & MOs

Info

ID:	323363
PubChem CID:	126674555
Reduced:	ON6C23H32 (1)
Stoich.:	AB6C23D32 (1)
Weight, g/mol:	668.257612
ΔH_f, kcal/mol:	-7.81
Dipole, Da:	6.53
IP(EA), eV:	-8.18(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[1-methyl-3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CNC(=O)C1=C(N=CC(=C1)C2=CC(=C(C=C2)CN3CCC(CC3)N4CCCC4)N)N

DOS

IR

Vibrations