Geometry & MOs

Info

ID:	20300
PubChem CID:	583006
Reduced:	NOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	251.131014
ΔH_f, kcal/mol:	85.88
Dipole, Da:	2.67
IP(EA), eV:	-9.48(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylethyl)non-2-en-6,8-diynamide

Drug info:

PubChemData

Smile

C#CC#CCCC=CC(=O)NCCC1=CC=CC=C1

DOS

IR

Vibrations