Geometry & MOs

Info

ID:	259133
PubChem CID:	103158315
Reduced:	ClN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	245.181336
ΔH_f, kcal/mol:	-174.17
Dipole, Da:	2.59
IP(EA), eV:	-9.39(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(4-methylsulfanylbutan-2-ylamino)propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations