Geometry & MOs

Info

ID:	371509
PubChem CID:	127346736
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	335.257277
ΔH_f, kcal/mol:	-130.05
Dipole, Da:	8.33
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCN(C2)C(=O)C3CCCN3C(=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations