Geometry & MOs

Info

ID:	284031
PubChem CID:	104028566
Reduced:	BrN2O5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	326.0266
ΔH_f, kcal/mol:	-110.48
Dipole, Da:	2.37
IP(EA), eV:	-10.35(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C(=O)O)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations