Geometry & MOs

Info

ID:	285931
PubChem CID:	104138689
Reduced:	ClN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-57.69
Dipole, Da:	5.29
IP(EA), eV:	-9.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-propylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)NC2=CC(=CC(=N2)C(C)C)C(=O)O

DOS

IR

Vibrations