Geometry & MOs

Info

ID:

140350

PubChem CID:

52685934

Reduced:

N2O2C17H27 (1)

Stoich.:

A2B2C17D27 (1)

Weight, g/mol:

290.199428

ΔHf, kcal/mol:

-38.99

Dipole, Da:

4.23

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.755348

Charge, e:

0

Chem-info

IUPAC name:

(2R)-N-cyclopropyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC[NH+](C)[C@H](C)C(=O)NC2CC2

DOS

IR

Vibrations