Geometry & MOs

Info

ID:	435459
PubChem CID:	135191508
Reduced:	F2N3O4H17C21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	155.069477
ΔH_f, kcal/mol:	-156.28
Dipole, Da:	4.11
IP(EA), eV:	-8.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-methyl-1,4-dihydropyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(O/C(=C\C2=CNC3=C2CCC=N3)/C1=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations