Geometry & MOs

Info

ID:	181816
PubChem CID:	76798635
Reduced:	O2Cl3N7C24H30 (1)
Stoich.:	A2B3C7D24E30 (1)
Weight, g/mol:	486.239769
ΔH_f, kcal/mol:	-12.23
Dipole, Da:	3.63
IP(EA), eV:	-9.44(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCN1C2C(CC(=N2)Cl)C(=O)N(C1=O)CCCCCN3N=C(N=N3)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations