Geometry & MOs

Info

ID:	258749
PubChem CID:	103156761
Reduced:	NOC3H5 (3)
Stoich.:	ABC3D5 (3)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-94.91
Dipole, Da:	2.54
IP(EA), eV:	-9.15(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(aminomethyl)-4-bromophenoxy]-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=COC(=N1)NC(=O)CC(CN)OC

DOS

IR

Vibrations