Geometry & MOs

Info

ID:	351537
PubChem CID:	127280425
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	311.184506
ΔH_f, kcal/mol:	-97.25
Dipole, Da:	9.31
IP(EA), eV:	-9.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,4-dioxane-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations