Geometry & MOs

Info

ID:	259077
PubChem CID:	103158161
Reduced:	NO3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	255.219829
ΔH_f, kcal/mol:	-160.25
Dipole, Da:	2.7
IP(EA), eV:	-9.51(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propan-2-ol

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)OC(=O)CC(CN)OC)C)C

DOS

IR

Vibrations