Geometry & MOs

Info

ID:	173777
PubChem CID:	75680775
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	25.82
Dipole, Da:	2.48
IP(EA), eV:	-8.87(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]pyrrolidin-2-yl]-6-propan-2-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CN(CN1)CC(=O)NC2=CC=CC(=C2)CCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations