Geometry & MOs

Info

ID:	195353
PubChem CID:	78677088
Reduced:	FO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	415.198145
ΔH_f, kcal/mol:	-109.16
Dipole, Da:	3.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772779
Charge, e:	1

Chem-info

IUPAC name:

[2-(2,3-dimethylanilino)-2-oxoethyl]-[1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-methylazanium

Drug info:

PubChemData

Smile

C[NH+](CC(=O)NC1=CC=C(C=C1)F)C(C2=CC=CC=C2)C(=O)NC(=O)N

DOS

IR

Vibrations