Geometry & MOs

Info

ID:	422870
PubChem CID:	135118542
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	333.124405
ΔH_f, kcal/mol:	-73.84
Dipole, Da:	6.24
IP(EA), eV:	-8.94(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC(=CC=C3)N4CCNC4=O

DOS

IR

Vibrations