Geometry & MOs

Info

ID:	154012
PubChem CID:	56313372
Reduced:	F3O4N5H20C21 (1)
Stoich.:	A3B4C5D20E21 (1)
Weight, g/mol:	449.192626
ΔH_f, kcal/mol:	-160.51
Dipole, Da:	7.84
IP(EA), eV:	-9.64(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-oxoethyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)C2=NNC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations