Geometry & MOs

Info

ID:	338815
PubChem CID:	127259826
Reduced:	N2O2C23H32 (1)
Stoich.:	A2B2C23D32 (1)
Weight, g/mol:	247.1361
ΔH_f, kcal/mol:	-68.21
Dipole, Da:	4.07
IP(EA), eV:	-8.33(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]acetonitrile

Drug info:

PubChemData

Smile

CCN(CC)CCCN(C1=CC=CC=C1)C(C)OC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations