Geometry & MOs

Info

ID:

43572

PubChem CID:

10321485

Reduced:

O4N5C24H27 (1)

Stoich.:

A4B5C24D27 (1)

Weight, g/mol:

449.229012

ΔHf, kcal/mol:

-1.56

Dipole, Da:

6.34

IP(EA), eV:

 -8.84(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)CCNCCC1=C(C(=NC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations