Geometry & MOs

Info

ID:	259087
PubChem CID:	103158177
Reduced:	NO3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	267.256215
ΔH_f, kcal/mol:	-171.22
Dipole, Da:	2.94
IP(EA), eV:	-9.41(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[(2-propan-2-ylcyclohexyl)amino]propan-2-ol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)OC(=O)CC(CN)OC)C

DOS

IR

Vibrations