Geometry & MOs

Info

ID:	215943
PubChem CID:	85085480
Reduced:	O2H12C13 (1)
Stoich.:	A2B12C13 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	51.18
Dipole, Da:	2.48
IP(EA), eV:	-8.78(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,12-dimethyl-1-azacyclododec-8-en-6,10-diyn-2-one

Drug info:

PubChemData

Smile

C#CC(C1=CC=CC=C(C1)C(C#C)O)O

DOS

IR

Vibrations