Geometry & MOs

Info

ID:	424486
PubChem CID:	135122864
Reduced:	O2F3N3H12C15 (1)
Stoich.:	A2B3C3D12E15 (1)
Weight, g/mol:	395.101224
ΔH_f, kcal/mol:	-153.57
Dipole, Da:	2.46
IP(EA), eV:	-9.05(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]butyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

C/C(=C\C1=CN=C(N=C1)NC2=CC=C(C=C2)OC(F)(F)F)/C=O

DOS

IR

Vibrations