Geometry & MOs

Info

ID:	206313
PubChem CID:	80228888
Reduced:	N2O2F3C9H9 (1)
Stoich.:	A2B2C3D9E9 (1)
Weight, g/mol:	234.046299
ΔH_f, kcal/mol:	-207.77
Dipole, Da:	4.38
IP(EA), eV:	-9.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-(4-methylthiophen-3-yl)pyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)NC(=O)C(F)(F)F

DOS

IR

Vibrations