Geometry & MOs

Info

ID:	28312
PubChem CID:	826977
Reduced:	FNOH12C14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	181.085127
ΔH_f, kcal/mol:	-41.92
Dipole, Da:	3.49
IP(EA), eV:	-9.7(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations