Geometry & MOs

Info

ID:	286576
PubChem CID:	104178853
Reduced:	BrN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	296.05243
ΔH_f, kcal/mol:	-25.72
Dipole, Da:	4.49
IP(EA), eV:	-9.14(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-5-methylpyridin-3-yl)cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Br)NC(=O)C2=CC=CO2

DOS

IR

Vibrations