Geometry & MOs

Info

ID:	405791
PubChem CID:	135075452
Reduced:	F2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-187.26
Dipole, Da:	4.28
IP(EA), eV:	-9.15(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(4-methylpent-1-ynoxy)benzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C(C(=O)CC=C)(F)F)O

DOS

IR

Vibrations