Geometry & MOs

Info

ID:	12006
PubChem CID:	125862
Reduced:	ON6C20H30 (1)
Stoich.:	AB6C20D30 (1)
Weight, g/mol:	370.24811
ΔH_f, kcal/mol:	24.2
Dipole, Da:	2.71
IP(EA), eV:	-8.46(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-N-[3-[(1-piperidin-1-yl-2,3-dihydro-1H-inden-4-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine

Drug info:

PubChemData

Smile

CN1C(=NC(=N1)N)NCCCOC2=CC=CC3=C2CCC3N4CCCCC4

DOS

IR

Vibrations