Geometry & MOs

Info

ID:	313433
PubChem CID:	126614715
Reduced:	NO2C9H18 (2)
Stoich.:	AB2C9D18 (2)
Weight, g/mol:	208.074896
ΔH_f, kcal/mol:	-212.41
Dipole, Da:	2.05
IP(EA), eV:	-9.06(1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[cyano(methylamino)methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1CC2C(CCCC2NCCOCCO)C(C1)NCCOCCO

DOS

IR

Vibrations