Geometry & MOs

Info

ID:	411092
PubChem CID:	135083902
Reduced:	OC16H18 (1)
Stoich.:	AB16C18 (1)
Weight, g/mol:	184.125201
ΔH_f, kcal/mol:	34.54
Dipole, Da:	2.93
IP(EA), eV:	-9.23(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methylhept-5-en-1-ynylbenzene

Drug info:

PubChemData

Smile

CC(C)CC(=O)C1(CC1)C#CC2=CC=CC=C2

DOS

IR

Vibrations