Geometry & MOs

Info

ID:	138467
PubChem CID:	52370494
Reduced:	NOF3C8H10 (2)
Stoich.:	ABC3D8E10 (2)
Weight, g/mol:	348.153501
ΔH_f, kcal/mol:	-398.19
Dipole, Da:	3.02
IP(EA), eV:	-9.47(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(carbamoylamino)-2-oxoethyl]-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-methylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(F)(F)F)C)CN(C)CC(=O)NCC(F)(F)F

DOS

IR

Vibrations