Geometry & MOs

Info

ID:	128783
PubChem CID:	51057672
Reduced:	BrNO3H22C24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	364.04226
ΔH_f, kcal/mol:	-38.63
Dipole, Da:	3.54
IP(EA), eV:	-8.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)Br

DOS

IR

Vibrations