Geometry & MOs

Info

ID:	289724
PubChem CID:	104370126
Reduced:	Cl2N2O2H12C13 (1)
Stoich.:	A2B2C2D12E13 (1)
Weight, g/mol:	299.140055
ΔH_f, kcal/mol:	-75.51
Dipole, Da:	4.19
IP(EA), eV:	-9.43(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[(1-ethylpyrrolidin-2-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)C1=C(NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations