Geometry & MOs

Info

ID:	36438
PubChem CID:	8006954
Reduced:	ClOSN2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	346.215747
ΔH_f, kcal/mol:	1.01
Dipole, Da:	1.45
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-cyclohexyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole

Drug info:

PubChemData

Smile

C1C(=O)N([C@@H](S1)C2=CC=C(C=C2)Cl)CCC3=CC=CC=N3

DOS

IR

Vibrations