Geometry & MOs

Info

ID:

17294

PubChem CID:

491970

Reduced:

ClO3N4C27H29 (1)

Stoich.:

AB3C4D27E29 (1)

Weight, g/mol:

492.192818

ΔHf, kcal/mol:

-51.29

Dipole, Da:

8.07

IP(EA), eV:

 -8.93(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-(morpholin-4-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC2=C3N1C=C(C(=O)C3=CC(=C2)CN4CCOCC4)C(=O)NCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations