Geometry & MOs

Info

ID:	395379
PubChem CID:	135025334
Reduced:	NOC28H35 (1)
Stoich.:	ABC28D35 (1)
Weight, g/mol:	395.318815
ΔH_f, kcal/mol:	32.11
Dipole, Da:	2.94
IP(EA), eV:	-8.51(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(dicyclohexylamino)-1-phenylnon-2-yn-4-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2CCCCC2)C(C#CC(C3=CC=CC=C3)O)C4=CC=CC=C4

DOS

IR

Vibrations