Geometry & MOs

Info

ID:	317676
PubChem CID:	126644921
Reduced:	ClSN2O3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	271.193614
ΔH_f, kcal/mol:	-59.39
Dipole, Da:	2.0
IP(EA), eV:	-9.18(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[[4-(cyclohexen-1-yl)phenyl]methoxy]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC2=NC3=C(S2)C=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations