Geometry & MOs

Info

ID:

135581

PubChem CID:

51896707

Reduced:

O2N4C12H21 (1)

Stoich.:

A2B4C12D21 (1)

Weight, g/mol:

325.073038

ΔHf, kcal/mol:

-74.05

Dipole, Da:

1.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.781844

Charge, e:

 0

Chem-info

IUPAC name:

11-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

Drug info:

PubChemData

Smile

CC1=[N+](C=CN1)CCNC(=O)C(=O)NC(C)(C)C

DOS

IR

Vibrations