Geometry & MOs

Info

ID:	216464
PubChem CID:	85086275
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	271.0667
ΔH_f, kcal/mol:	38.22
Dipole, Da:	3.36
IP(EA), eV:	-8.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-1-azacyclodec-6-en-4,8-diyne

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=NO)OCCC=C)C2=CC=CC=C2

DOS

IR

Vibrations