Geometry & MOs

Info

ID:	285921
PubChem CID:	104137876
Reduced:	FN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-97.36
Dipole, Da:	4.47
IP(EA), eV:	-8.99(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-propylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations