Geometry & MOs

Info

ID:

179590

PubChem CID:

76506195

Reduced:

O2N5C33H40 (1)

Stoich.:

A2B5C33D40 (1)

Weight, g/mol:

474.222683

ΔHf, kcal/mol:

14.09

Dipole, Da:

1.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.845434

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl 3-[[1-[4-[(carbamoyloxydiazenyl)methyl]phenyl]-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate

Drug info:

PubChemData

Smile

CCC1CCC[N+]1(C2=CC=CC(=C2)C3=CC=CC=N3)NC(=O)C(CC(C)C)NC(=O)N4CC5=CC=CC=C5C=C4

DOS

IR

Vibrations