Geometry & MOs

Info

ID:	397600
PubChem CID:	135030451
Reduced:	N3H13C17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	444.129634
ΔH_f, kcal/mol:	113.57
Dipole, Da:	4.45
IP(EA), eV:	-8.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-benzylimidazol-2-yl)phenyl]thioxanthen-9-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C3C=CNC3=CC=C2)N4C=CC=N4

DOS

IR

Vibrations