Geometry & MOs

Info

ID:	259134
PubChem CID:	103158321
Reduced:	NOSC13H27 (1)
Stoich.:	ABCD13E27 (1)
Weight, g/mol:	223.193614
ΔH_f, kcal/mol:	-88.54
Dipole, Da:	1.72
IP(EA), eV:	-8.45(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(hex-5-yn-3-ylamino)propan-2-ol

Drug info:

PubChemData

Smile

CC(CCSC)NCC(CC1CCCC1)O

DOS

IR

Vibrations