Geometry & MOs

Info

ID:	411703
PubChem CID:	135084537
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	260.02006
ΔH_f, kcal/mol:	-115.27
Dipole, Da:	2.05
IP(EA), eV:	-9.63(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoethynyl)-2-(3,3-dimethylbut-1-ynyl)benzene

Drug info:

PubChemData

Smile

CC(C)C(=O)C(C1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations