Geometry & MOs

Info

ID:	167331
PubChem CID:	74810074
Reduced:	FON5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	417.196037
ΔH_f, kcal/mol:	26.71
Dipole, Da:	2.41
IP(EA), eV:	-8.69(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[(3-methyl-1H-indol-2-yl)methyl]-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]azanium

Drug info:

PubChemData

Smile

C1CN(CC2C1NNC2C3=CC=CC=C3F)C(=O)CN4C5=CC=CC=C5C=N4

DOS

IR

Vibrations