Geometry & MOs

Info

ID:	300553
PubChem CID:	121360508
Reduced:	N2H9C16 (2)
Stoich.:	A2B9C16 (2)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	211.6
Dipole, Da:	4.74
IP(EA), eV:	-8.75(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3-ethyl-6-methyl-7-oxoocta-3,5-dienenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=C(C=C4C#N)C#N)N5C6=CC=CC=C6C7=CC=CC=C75

DOS

IR

Vibrations