Geometry & MOs

Info

ID:	440553
PubChem CID:	135230550
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	456.134002
ΔH_f, kcal/mol:	-91.65
Dipole, Da:	5.74
IP(EA), eV:	-9.41(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-chloro-3-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,2,4-triazol-5-yl]phenyl]methyl]-3-fluoro-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CCOC(C1=NN(C(=C1)OCC2=CC=CC=C2)CC3CCCCC3)O

DOS

IR

Vibrations