Geometry & MOs

Info

ID:	406146
PubChem CID:	135076715
Reduced:	ClOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	373.059564
ΔH_f, kcal/mol:	-48.69
Dipole, Da:	4.22
IP(EA), eV:	-9.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]phenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCCC(C)(C)C(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations