Geometry & MOs

Info

ID:	258752
PubChem CID:	103156796
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	311.165207
ΔH_f, kcal/mol:	-90.2
Dipole, Da:	5.68
IP(EA), eV:	-9.09(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-2-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=NNC(=O)C=C1)CN

DOS

IR

Vibrations