Geometry & MOs

Info

ID:	284040
PubChem CID:	104029264
Reduced:	BrN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	401.87862
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	4.34
IP(EA), eV:	-9.87(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(5-bromopyrazin-2-yl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCC1CCC(C1C)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations