Geometry & MOs

Info

ID:	338300
PubChem CID:	127258992
Reduced:	SO3C14H14 (1)
Stoich.:	AB3C14D14 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-80.54
Dipole, Da:	4.92
IP(EA), eV:	-9.12(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminopentyl benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations