Geometry & MOs

Info

ID:	384344
PubChem CID:	134976817
Reduced:	C7H8 (3)
Stoich.:	A7B8 (3)
Weight, g/mol:	294.25588
ΔH_f, kcal/mol:	55.68
Dipole, Da:	1.19
IP(EA), eV:	-8.69(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadec-12-ynyl acetate

Drug info:

PubChemData

Smile

CCCCCC/C=C/CC#CC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations