Geometry & MOs

Info

ID:	287699
PubChem CID:	104252247
Reduced:	ON3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	281.271865
ΔH_f, kcal/mol:	-40.29
Dipole, Da:	3.45
IP(EA), eV:	-8.95(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-ethylcyclohexyl)-2-(oxan-2-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C(CC2CCCCO2)NCC

DOS

IR

Vibrations