Geometry & MOs

Info

ID:	351498
PubChem CID:	127280386
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-100.33
Dipole, Da:	5.85
IP(EA), eV:	-9.22(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-morpholin-4-ylbenzoyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations