Geometry & MOs

Info

ID:	445647
PubChem CID:	135268753
Reduced:	ClO4N5C15H16 (1)
Stoich.:	AB4C5D15E16 (1)
Weight, g/mol:	362.15902
ΔH_f, kcal/mol:	-127.43
Dipole, Da:	1.28
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-3-(3-hydroxypropyl)-1-methyl-5-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)CCCO)N(C(=O)N2)CC3=NC=C(C=C3)Cl

DOS

IR

Vibrations