Geometry & MOs

Info

ID:	153906
PubChem CID:	56313242
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	421.161326
ΔH_f, kcal/mol:	-113.7
Dipole, Da:	4.94
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations