Geometry & MOs

Info

ID:	61202
PubChem CID:	26707044
Reduced:	BrN3O4H12C14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	365.00112
ΔH_f, kcal/mol:	-49.1
Dipole, Da:	7.29
IP(EA), eV:	-9.71(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-bromophenyl)ethyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Br)NC(=O)C2=CC(=CNC2=O)[N+](=O)[O-]

DOS

IR

Vibrations