Geometry & MOs

Info

ID:	395832
PubChem CID:	135026670
Reduced:	ON3H29C35 (1)
Stoich.:	AB3C29D35 (1)
Weight, g/mol:	379.23
ΔH_f, kcal/mol:	110.14
Dipole, Da:	2.48
IP(EA), eV:	-8.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dibenzyl-1-(2-phenylethynyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=CC=CC3=C2C(=O)C4=C(C3=NCC5=CC=CC=C5)C(=CC=C4)NCC6=CC=CC=C6

DOS

IR

Vibrations