Geometry & MOs

Info

ID:	173178
PubChem CID:	75606654
Reduced:	ClON6C22H25 (1)
Stoich.:	ABC6D22E25 (1)
Weight, g/mol:	310.080101
ΔH_f, kcal/mol:	34.71
Dipole, Da:	4.44
IP(EA), eV:	-8.3(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methylpyrano[2,3-d]pyrimidine-2,5-dione

Drug info:

PubChemData

Smile

CC(C)N1CNC2=C(N=C(N=C21)NC(CO)C3=CC=CC=C3)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations