Geometry & MOs

Info

ID:	39267
PubChem CID:	8140018
Reduced:	FO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	394.108907
ΔH_f, kcal/mol:	-86.47
Dipole, Da:	3.54
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CNC(=O)C2=CC=CC=C2F

DOS

IR

Vibrations