Geometry & MOs

Info

ID:	154652
PubChem CID:	56314138
Reduced:	ClF3N3O3C21H23 (1)
Stoich.:	AB3C3D3E21F23 (1)
Weight, g/mol:	465.187541
ΔH_f, kcal/mol:	-228.2
Dipole, Da:	4.76
IP(EA), eV:	-8.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl)OCC(F)(F)F

DOS

IR

Vibrations