Geometry & MOs

Info

ID:	339602
PubChem CID:	127261592
Reduced:	SN2O5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-194.05
Dipole, Da:	10.48
IP(EA), eV:	-9.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminophenyl)ethyl hexanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/S(=O)(=O)NC(=O)NCCCCCC(=O)O

DOS

IR

Vibrations