Geometry & MOs

Info

ID:	68218
PubChem CID:	46507985
Reduced:	FO2N4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	404.16714
ΔH_f, kcal/mol:	-16.41
Dipole, Da:	2.72
IP(EA), eV:	-9.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-morpholin-4-ylpropyl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NNC(=O)C2=C(NN=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations