Geometry & MOs

Info

ID:	259147
PubChem CID:	103158365
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	243.165686
ΔH_f, kcal/mol:	-130.9
Dipole, Da:	4.3
IP(EA), eV:	-9.31(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(thian-3-ylamino)propan-2-ol

Drug info:

PubChemData

Smile

CC(CC(=O)N)NCC(CC1CCCC1)O

DOS

IR

Vibrations