Geometry & MOs

Info

ID:	153909
PubChem CID:	56313245
Reduced:	F3N4O4C24H25 (1)
Stoich.:	A3B4C4D24E25 (1)
Weight, g/mol:	494.177704
ΔH_f, kcal/mol:	-270.45
Dipole, Da:	8.73
IP(EA), eV:	-9.12(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)C(F)(F)F)N4CCOCC4)NC(=O)C1=O

DOS

IR

Vibrations