Geometry & MOs

Info

ID:	258810
PubChem CID:	103157096
Reduced:	NOCl2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	1.33
IP(EA), eV:	-9.29(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNCCC2=C(C=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations