Geometry & MOs

Info

ID:	234532
PubChem CID:	92298622
Reduced:	BrNO2H6C14 (2)
Stoich.:	ABC2D6E14 (2)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-22.11
Dipole, Da:	1.0
IP(EA), eV:	-8.21(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethoxy]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=CC(=C4C(=C3C2=O)[NH+]=C5C(=CC6=C(C5=[NH+]4)C(=O)C7=CC=CC=C7C6=O)Br)Br

DOS

IR

Vibrations