Geometry & MOs

Info

ID:	259144
PubChem CID:	103158353
Reduced:	NSO2C13H27 (1)
Stoich.:	ABC2D13E27 (1)
Weight, g/mol:	245.181336
ΔH_f, kcal/mol:	-114.53
Dipole, Da:	3.19
IP(EA), eV:	-8.32(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations