Geometry & MOs

Info

ID:	72791
PubChem CID:	48416549
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	414.19032
ΔH_f, kcal/mol:	-88.41
Dipole, Da:	4.28
IP(EA), eV:	-9.31(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC(C3)N4CCNC4=O

DOS

IR

Vibrations