Geometry & MOs

Info

ID:	285892
PubChem CID:	104136408
Reduced:	ClN3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-107.19
Dipole, Da:	3.63
IP(EA), eV:	-9.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propyl-6-(pyridin-3-ylamino)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)N2CCOCC2C(=O)NC)Cl

DOS

IR

Vibrations