Geometry & MOs

Info

ID:	382395
PubChem CID:	134973527
Reduced:	IO2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	290.09185
ΔH_f, kcal/mol:	-58.39
Dipole, Da:	5.82
IP(EA), eV:	-9.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[3-[2-(trifluoromethyl)phenyl]prop-1-ynyl]benzene

Drug info:

PubChemData

Smile

CCC/C(=C/C(=O)O)/C=C/I

DOS

IR

Vibrations