Geometry & MOs

Info

ID:	263706
PubChem CID:	103391393
Reduced:	NSO2C11H19 (1)
Stoich.:	ABC2D11E19 (1)
Weight, g/mol:	291.079284
ΔH_f, kcal/mol:	-82.85
Dipole, Da:	2.71
IP(EA), eV:	-8.5(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2,6-dichlorophenyl)-2-(methoxymethyl)pentan-2-ol

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(CCCN)(COC)O

DOS

IR

Vibrations