Geometry & MOs

Info

ID:	449124
PubChem CID:	135296161
Reduced:	N9C36H59 (1)
Stoich.:	A9B36C59 (1)
Weight, g/mol:	339.176919
ΔH_f, kcal/mol:	47.48
Dipole, Da:	5.86
IP(EA), eV:	-8.26(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-propan-2-yl-3a,7a-dihydro-3H-benzimidazol-5-yl)propan-2-yl]-3a,7a-dihydro-1,3-benzothiazole

Drug info:

PubChemData

Smile

CCN1CC(CC2=C(C1)C(=NN2)C(C)C)CC(C)C3=NNC4=C3CN(CCC4)C(C)CN5C6=C(CN(CCC6)C)C(=N5)C(C)C

DOS

IR

Vibrations