Geometry & MOs

Info

ID:	143103
PubChem CID:	53146086
Reduced:	ClN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	-73.88
Dipole, Da:	7.58
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CC(=C(C=C2)C(=O)NCC3=CC=C(C=C3)Cl)N4CCOCC4

DOS

IR

Vibrations