Geometry & MOs

Info

ID:	153895
PubChem CID:	56313230
Reduced:	FN3O4H24C27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	404.192292
ΔH_f, kcal/mol:	-120.78
Dipole, Da:	2.29
IP(EA), eV:	-9.02(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]propanamide

Drug info:

PubChemData

Smile

CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations