Geometry & MOs

Info

ID:	367022
PubChem CID:	127322954
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	366.263091
ΔH_f, kcal/mol:	-100.42
Dipole, Da:	5.28
IP(EA), eV:	-9.01(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCOC1=NC(=CC2=CC=CC=C21)C(=O)N3CCC(CC3)N4CCCC4=O

DOS

IR

Vibrations