Geometry & MOs

Info

ID:	407612
PubChem CID:	135080361
Reduced:	N2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	136.063663
ΔH_f, kcal/mol:	45.48
Dipole, Da:	2.36
IP(EA), eV:	-8.94(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(3-oxopropyl)propanedinitrile

Drug info:

PubChemData

Smile

CCCCCCC(=C)/C=C\N1C=CC=N1

DOS

IR

Vibrations