Geometry & MOs

Info

ID:	258933
PubChem CID:	103157469
Reduced:	NOC16H31 (1)
Stoich.:	ABC16D31 (1)
Weight, g/mol:	281.131031
ΔH_f, kcal/mol:	-103.75
Dipole, Da:	1.7
IP(EA), eV:	-8.96(2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCC(CC1)NCC(CC2CCCC2)O

DOS

IR

Vibrations