Geometry & MOs

Info

ID:	258754
PubChem CID:	103156798
Reduced:	ClO2N4C9H13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	291.219829
ΔH_f, kcal/mol:	-55.87
Dipole, Da:	4.77
IP(EA), eV:	-9.89(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=NC(=NC=C1)Cl)CN

DOS

IR

Vibrations