Geometry & MOs

Info

ID:

139412

PubChem CID:

52525788

Reduced:

ClSO2N4C20H28 (1)

Stoich.:

ABC2D4E20F28 (1)

Weight, g/mol:

226.204513

ΔHf, kcal/mol:

-61.26

Dipole, Da:

11.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759349

Charge, e:

 0

Chem-info

IUPAC name:

N-cycloheptyl-2-[methyl(propan-2-yl)amino]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)CC2=CSC(=[N+]2CCCOC)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations