Geometry & MOs

Info

ID:	324290
PubChem CID:	126677341
Reduced:	ClN3O3C21H30 (1)
Stoich.:	AB3C3D21E30 (1)
Weight, g/mol:	349.115045
ΔH_f, kcal/mol:	-106.09
Dipole, Da:	5.3
IP(EA), eV:	-8.52(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methylpyridin-3-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)(C)C)OCC2=NNC3=C2CN(CC3)C(COC)O

DOS

IR

Vibrations