Geometry & MOs

Info

ID:	39078
PubChem CID:	8139656
Reduced:	ClFN2O4H14C18 (1)
Stoich.:	ABC2D4E14F18 (1)
Weight, g/mol:	337.152773
ΔH_f, kcal/mol:	-112.14
Dipole, Da:	1.55
IP(EA), eV:	-9.22(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C(O1)C2=CC=C(C=C2)F)OC(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations