Geometry & MOs

Info

ID:	154442
PubChem CID:	56313882
Reduced:	OF3N4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	480.162054
ΔH_f, kcal/mol:	-196.76
Dipole, Da:	5.35
IP(EA), eV:	-8.54(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)N1CCCC(C1)CNC(=O)C2=C(N(N=C2)C(C)C)C(F)(F)F

DOS

IR

Vibrations