Geometry & MOs

Info

ID:	413361
PubChem CID:	135086309
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	182.10955
ΔH_f, kcal/mol:	-117.19
Dipole, Da:	5.16
IP(EA), eV:	-8.62(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E)-6-methylhepta-3,5-dien-1-yn-3-yl]benzene

Drug info:

PubChemData

Smile

CCCCCC#CC1N(C2=CC=CC=C2N1C(=O)OC)C(=O)OC

DOS

IR

Vibrations