Geometry & MOs

Info

ID:	48622
PubChem CID:	11110098
Reduced:	NO5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	322.986446
ΔH_f, kcal/mol:	-236.23
Dipole, Da:	1.97
IP(EA), eV:	-9.83(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,4-dichlorobenzoyl)-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CCO)CC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations