Geometry & MOs

Info

ID:	285899
PubChem CID:	104136705
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-67.79
Dipole, Da:	3.63
IP(EA), eV:	-8.7(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylanilino)-6-propan-2-ylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)O)NC2=CN=C(C=C2)OC

DOS

IR

Vibrations