Geometry & MOs

Info

ID:	39282
PubChem CID:	8140051
Reduced:	BrN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	354.218152
ΔH_f, kcal/mol:	-61.99
Dipole, Da:	4.28
IP(EA), eV:	-9.33(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CNC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations