Geometry & MOs

Info

ID:	195587
PubChem CID:	78705047
Reduced:	BrN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	404.09736
ΔH_f, kcal/mol:	-14.78
Dipole, Da:	5.0
IP(EA), eV:	-9.31(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-bromophenyl)propyl-[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Br)NC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations