Geometry & MOs

Info

ID:	258704
PubChem CID:	103156481
Reduced:	NOC5H10 (2)
Stoich.:	ABC5D10 (2)
Weight, g/mol:	317.094934
ΔH_f, kcal/mol:	-84.04
Dipole, Da:	3.77
IP(EA), eV:	-9.21(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)-4,6-dichlorophenoxy]-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

CCN(CC=C)C(=O)CC(CN)OC

DOS

IR

Vibrations