Geometry & MOs

Info

ID:	200345
PubChem CID:	79376466
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	15.71
Dipole, Da:	5.22
IP(EA), eV:	-8.43(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-N-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CNC1C(CC2=C1C=C(C=C2)OC)SC3=NC=CN3C

DOS

IR

Vibrations