Geometry & MOs

Info

ID:	153647
PubChem CID:	56312928
Reduced:	BrN3O4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	441.151155
ΔH_f, kcal/mol:	-83.06
Dipole, Da:	7.49
IP(EA), eV:	-8.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[2-(4-nitroanilino)ethyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCCCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations