Geometry & MOs

Info

ID:	85208
PubChem CID:	49872382
Reduced:	ClFON5C24H25 (1)
Stoich.:	ABCD5E24F25 (1)
Weight, g/mol:	476.158387
ΔH_f, kcal/mol:	-12.76
Dipole, Da:	9.78
IP(EA), eV:	-8.76(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methyl-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@@H]2CCCN3C2=NC(=N3)C4=CC(=C(C=C4)N5C=C(N=C5)C)OC.Cl

DOS

IR

Vibrations