Geometry & MOs

Info

ID:	386781
PubChem CID:	134982915
Reduced:	ON2H12C20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	261.15175
ΔH_f, kcal/mol:	144.29
Dipole, Da:	8.04
IP(EA), eV:	-9.22(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dipropylcycloprop-2-en-1-ylidene)indene-1-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C2=C(C#N)C(=O)CC#N)C3=CC=CC=C3

DOS

IR

Vibrations