Geometry & MOs

Info

ID:	261541
PubChem CID:	103239121
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	272.070954
ΔH_f, kcal/mol:	-120.76
Dipole, Da:	4.3
IP(EA), eV:	-9.76(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyano-3-fluoroanilino)methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC(=O)CNCC1=C(SC(=C1)C(=O)O)C

DOS

IR

Vibrations