Geometry & MOs

Info

ID:	187090
PubChem CID:	77529985
Reduced:	SN4O6C20H30 (1)
Stoich.:	AB4C6D20E30 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-230.82
Dipole, Da:	5.32
IP(EA), eV:	-9.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-chloro-3-methylphenoxy)-4-hydroxypentan-2-one

Drug info:

PubChemData

Smile

CCC1=C(C=CC=C1S(=O)(=O)NC(CN)C(=O)N2CCOCC2C)N3CCOCC3=O

DOS

IR

Vibrations