Geometry & MOs

Info

ID:	286577
PubChem CID:	104178855
Reduced:	BrON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	320.05243
ΔH_f, kcal/mol:	-49.02
Dipole, Da:	4.69
IP(EA), eV:	-9.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-5-methylpyridin-3-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Br)NC(=O)C2CCCCC2

DOS

IR

Vibrations