Geometry & MOs

Info

ID:	324191
PubChem CID:	126677104
Reduced:	SN8C19H22 (1)
Stoich.:	AB8C19D22 (1)
Weight, g/mol:	316.047792
ΔH_f, kcal/mol:	135.7
Dipole, Da:	3.5
IP(EA), eV:	-8.31(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[2-methoxy-5-(trifluoromethyl)phenyl]-5-methylphenol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=NC=CS2)CN=C/C(=C\N)/CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations