Geometry & MOs

Info

ID:	193499
PubChem CID:	78401392
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	17.09
Dipole, Da:	7.8
IP(EA), eV:	-9.1(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-ylidene)-4-[1-(4-methylphenyl)ethylideneamino]oxy-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CC(=NOCC(=O)C(=C1NC2CCCCC2N1)C#N)C3=CC=CC=C3

DOS

IR

Vibrations