Geometry & MOs

Info

ID:	154829
PubChem CID:	56314366
Reduced:	N2F3O3C23H29 (1)
Stoich.:	A2B3C3D23E29 (1)
Weight, g/mol:	448.172225
ΔH_f, kcal/mol:	-252.25
Dipole, Da:	5.58
IP(EA), eV:	-8.09(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CCCNC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations