Geometry & MOs

Info

ID:	57793
PubChem CID:	24277390
Reduced:	SO2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-6.88
Dipole, Da:	6.11
IP(EA), eV:	-9.0(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(=CC(=N2)C(=O)O)C3=CC=CS3

DOS

IR

Vibrations