Geometry & MOs

Info

ID:	149749
PubChem CID:	53789425
Reduced:	N2O2H26C27 (1)
Stoich.:	A2B2C26D27 (1)
Weight, g/mol:	435.018673
ΔH_f, kcal/mol:	3.59
Dipole, Da:	10.27
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-dichloro-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1-methyl-2,4-dihydro-1,3,5-triazine

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C2=NC(=O)C3=CC=CC(=C3N2)C=CCCC4=CC=CC=C4

DOS

IR

Vibrations