Geometry & MOs

Info

ID:	380959
PubChem CID:	134971570
Reduced:	ON2H19C21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	398.136788
ΔH_f, kcal/mol:	55.73
Dipole, Da:	2.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.073586
Charge, e:	1

Chem-info

IUPAC name:

benzylidene-phenyl-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=[N+](C2=CC=CC=C2)C(=O)[C@@H](C3=CC=CC=C3)N

DOS

IR

Vibrations