Geometry & MOs

Info

ID:	181813
PubChem CID:	76797887
Reduced:	ClFON4C13H16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	473.182982
ΔH_f, kcal/mol:	-47.9
Dipole, Da:	7.57
IP(EA), eV:	-9.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-6-chloro-3-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)butyl]-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1C(C(C(O1)N2C=NC3=C2N=CN=C3Cl)(C)F)C

DOS

IR

Vibrations