Geometry & MOs

Info

ID:	258701
PubChem CID:	103156472
Reduced:	NO2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	291.219829
ΔH_f, kcal/mol:	-139.9
Dipole, Da:	4.89
IP(EA), eV:	-9.48(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CC(=O)NC(CC#C)C(=O)O)CN

DOS

IR

Vibrations