Geometry & MOs

Info

ID:	39265
PubChem CID:	8140016
Reduced:	ClN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	344.17743
ΔH_f, kcal/mol:	-64.14
Dipole, Da:	2.29
IP(EA), eV:	-8.99(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-[(2-fluorobenzoyl)amino]acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(=O)OCC2=NC(=NO2)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations