Geometry & MOs

Info

ID:

140339

PubChem CID:

52684699

Reduced:

N4O4C23H31 (1)

Stoich.:

A4B4C23D31 (1)

Weight, g/mol:

370.285838

ΔHf, kcal/mol:

-17.71

Dipole, Da:

7.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752380

Charge, e:

 1

Chem-info

IUPAC name:

cyclohexylmethyl-cyclopropyl-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CCCCNC(=O)COC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3

DOS

IR

Vibrations