Geometry & MOs

Info

ID:	258929
PubChem CID:	103157459
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	295.146681
ΔH_f, kcal/mol:	-122.83
Dipole, Da:	3.08
IP(EA), eV:	-9.62(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxypropan-1-amine

Drug info:

PubChemData

Smile

CC(C(=O)NC)NCC(CC1CCCC1)O

DOS

IR

Vibrations