Geometry & MOs

Info

ID:	404678
PubChem CID:	135069216
Reduced:	OH8C10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	198.104465
ΔH_f, kcal/mol:	-27.93
Dipole, Da:	5.36
IP(EA), eV:	-9.08(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylbut-1-ynyl)-2-ethynoxybenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2C3=CC=CC4=C3C(=CC=C4)C(=O)O2

DOS

IR

Vibrations