Geometry & MOs

Info

ID:	270992
PubChem CID:	103639156
Reduced:	BrINOH11C14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	357.99286
ΔH_f, kcal/mol:	23.68
Dipole, Da:	3.81
IP(EA), eV:	-9.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=CC=C(C=C2)I

DOS

IR

Vibrations