Geometry & MOs

Info

ID:	285902
PubChem CID:	104136818
Reduced:	FN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-98.94
Dipole, Da:	3.05
IP(EA), eV:	-8.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)O)NC2=CC(=C(C=C2)C)F

DOS

IR

Vibrations