Geometry & MOs

Info

ID:	263707
PubChem CID:	103391440
Reduced:	NCl2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-100.94
Dipole, Da:	3.22
IP(EA), eV:	-9.27(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(2,3-dihydro-1-benzofuran-7-yl)-1-methoxypentan-2-ol

Drug info:

PubChemData

Smile

COCC(CCCN)(CC1=C(C=CC=C1Cl)Cl)O

DOS

IR

Vibrations