Geometry & MOs

Info

ID:	138469
PubChem CID:	52370496
Reduced:	F3N3O3C15H20 (1)
Stoich.:	A3B3C3D15E20 (1)
Weight, g/mol:	386.205537
ΔH_f, kcal/mol:	-277.76
Dipole, Da:	3.02
IP(EA), eV:	-9.17(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[2-cyanopropan-2-yl(methyl)amino]-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)NC(=O)N

DOS

IR

Vibrations