Geometry & MOs

Info

ID:	192575
PubChem CID:	78287175
Reduced:	N2F3O3C19H22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	354.181767
ΔH_f, kcal/mol:	-196.02
Dipole, Da:	8.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.843005
Charge, e:	1

Chem-info

IUPAC name:

[1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)[NH+](C)CC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations