Geometry & MOs

Info

ID:	155659
PubChem CID:	56366710
Reduced:	BrO3N4H19C24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	415.01432
ΔH_f, kcal/mol:	32.35
Dipole, Da:	4.46
IP(EA), eV:	-9.75(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=CC(=NC3=C2C(=NO3)C4=CC=CC=C4)C5CC5

DOS

IR

Vibrations