Geometry & MOs

Info

ID:	72837
PubChem CID:	48416600
Reduced:	Cl2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	387.190654
ΔH_f, kcal/mol:	-125.95
Dipole, Da:	4.62
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-nitro-4-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)N2CCNC2=O)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations