Geometry & MOs

Info

ID:	392798
PubChem CID:	135017994
Reduced:	SSeO5C15H22 (1)
Stoich.:	ABC5D15E22 (1)
Weight, g/mol:	328.181373
ΔH_f, kcal/mol:	-206.02
Dipole, Da:	3.18
IP(EA), eV:	-8.61(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-bis[(3-methylphenyl)methyl]benzotriazol-3-ium

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@H]([C@@H](C[Se]CCC(=O)C2=CC=CS2)O)O)C

DOS

IR

Vibrations