Geometry & MOs

Info

ID:	272745
PubChem CID:	103754147
Reduced:	BrO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	349.0062
ΔH_f, kcal/mol:	-73.32
Dipole, Da:	6.1
IP(EA), eV:	-9.35(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(4-ethyl-3-nitrophenyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations