Geometry & MOs

Info

ID:	192574
PubChem CID:	78287071
Reduced:	N3O5C19H24 (1)
Stoich.:	A3B5C19D24 (1)
Weight, g/mol:	383.158252
ΔH_f, kcal/mol:	-65.89
Dipole, Da:	9.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769577
Charge, e:	1

Chem-info

IUPAC name:

(2,4-dimethoxyphenyl)methyl-methyl-[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations