Geometry & MOs

Info

ID:	12405
PubChem CID:	137112
Reduced:	C11H12 (1)
Stoich.:	A11B12 (1)
Weight, g/mol:	144.0939
ΔH_f, kcal/mol:	57.06
Dipole, Da:	0.84
IP(EA), eV:	-9.05(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbut-1-ynylbenzene

Drug info:

PubChemData

Smile

CC(C)C#CC1=CC=CC=C1

DOS

IR

Vibrations