Geometry & MOs

Info

ID:	262404
PubChem CID:	103291361
Reduced:	ClNOSC14H22 (1)
Stoich.:	ABCDE14F22 (1)
Weight, g/mol:	299.111063
ΔH_f, kcal/mol:	-55.78
Dipole, Da:	3.42
IP(EA), eV:	-8.84(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2-chlorophenyl)methylsulfanyl]-1-(ethylamino)cyclopentyl]methanol

Drug info:

PubChemData

Smile

CCNC(C)(CCSCC1=CC=CC=C1Cl)CO

DOS

IR

Vibrations