Geometry & MOs

Info

ID:	84972
PubChem CID:	49871034
Reduced:	NOC22H35 (1)
Stoich.:	ABC22D35 (1)
Weight, g/mol:	296.09545
ΔH_f, kcal/mol:	-1.9
Dipole, Da:	4.03
IP(EA), eV:	-9.1(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCC/C=C/C#CC#CCCCCCCCC(=O)NCCCC

DOS

IR

Vibrations