Geometry & MOs

Info

ID:	56003
PubChem CID:	17398303
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	304.105922
ΔH_f, kcal/mol:	-30.02
Dipole, Da:	2.79
IP(EA), eV:	-8.71(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-hydroxy-4-methylbenzoate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC(=NN2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5

DOS

IR

Vibrations