Geometry & MOs

Info

ID:	398053
PubChem CID:	135031532
Reduced:	ClN3H10C16 (1)
Stoich.:	AB3C10D16 (1)
Weight, g/mol:	359.070403
ΔH_f, kcal/mol:	106.94
Dipole, Da:	3.1
IP(EA), eV:	-8.53(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methylsulfanyl-8-[4-(trifluoromethyl)phenyl]-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=CN=C(N3C4=C2C=CC=N4)Cl

DOS

IR

Vibrations