Geometry & MOs

Info

ID:

191102

PubChem CID:

78103860

Reduced:

N5O7H39C40 (1)

Stoich.:

A5B7C39D40 (1)

Weight, g/mol:

356.257612

ΔHf, kcal/mol:

-65.55

Dipole, Da:

4.44

IP(EA), eV:

 -8.71(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-[(dimethylamino)methyl]phenyl]-5-ethyl-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one

Drug info:

PubChemData

Smile

CNCC#CC1=CN2C(C1)C=NC3=CC(=C(C=C3C2=O)OC)OCCCOC4=C(C=C5C(=C4)N=CC6CC(=CN6C5=O)C7=CC=C(C=C7)OC)OC

DOS

IR

Vibrations