Geometry & MOs

Info

ID:

178949

PubChem CID:

76406549

Reduced:

O2N5C17H18 (1)

Stoich.:

A2B5C17D18 (1)

Weight, g/mol:

294.205576

ΔHf, kcal/mol:

55.52

Dipole, Da:

4.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.772402

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-aminopyrrolidine-2-carbonyl)-1-cyclohexylpiperazin-2-one

Drug info:

PubChemData

Smile

CC(CC1=CN(N=N1)CC[N+]2=NC(=O)C=CC2=O)C3=CC=CC=C3

DOS

IR

Vibrations