Geometry & MOs

Info

ID:	11797
PubChem CID:	121123
Reduced:	BrN3O4C15H22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	387.07937
ΔH_f, kcal/mol:	-82.86
Dipole, Da:	15.62
IP(EA), eV:	-8.61(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-4-nitrobenzamide;bromide

Drug info:

PubChemData

Smile

C[N+]1(CCOCC1)CCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

DOS

IR

Vibrations