Geometry & MOs

Info

ID:	386946
PubChem CID:	134983470
Reduced:	NO2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	530.282504
ΔH_f, kcal/mol:	-31.87
Dipole, Da:	2.35
IP(EA), eV:	-9.55(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCC(=C=C)CC(C#N)(C1=CC=CC=C1)C(=O)OCC

DOS

IR

Vibrations