Geometry & MOs

Info

ID:	272300
PubChem CID:	103738244
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	298.063968
ΔH_f, kcal/mol:	-81.09
Dipole, Da:	4.03
IP(EA), eV:	-9.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichloro-4-methylpyridin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC1)CNC(=O)C2=CC(=C(C=C2)O)Cl

DOS

IR

Vibrations