Geometry & MOs

Info

ID:	285930
PubChem CID:	104138520
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	304.097855
ΔH_f, kcal/mol:	-38.69
Dipole, Da:	5.97
IP(EA), eV:	-9.11(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-methylanilino)-6-propan-2-ylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)O)NC(C)C2=NC=CS2

DOS

IR

Vibrations