Geometry & MOs

Info

ID:	430288
PubChem CID:	135170352
Reduced:	NC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	182.036779
ΔH_f, kcal/mol:	30.08
Dipole, Da:	2.5
IP(EA), eV:	-8.17(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethynyl-2-methylideneindene-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N=C(C3=C2CCCC3)NC4CC4

DOS

IR

Vibrations