Geometry & MOs

Info

ID:	337891
PubChem CID:	127258514
Reduced:	Cl3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-152.2
Dipole, Da:	1.88
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-aminoethyl)-3-methylphenoxy]ethyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)Cl

DOS

IR

Vibrations