Geometry & MOs

Info

ID:

310778

PubChem CID:

126587426

Reduced:

N7O10H53C54 (1)

Stoich.:

A7B10C53D54 (1)

Weight, g/mol:

387.194677

ΔHf, kcal/mol:

-132.11

Dipole, Da:

5.96

IP(EA), eV:

 -8.54(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[benzyl(methyl)amino]-6-(1,5-dimethyl-6-oxopyridin-3-yl)-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCOCCOCCN4C=C(N=N4)CN(CC5=CN(N=N5)CCOCCOCCOC6=CC7=C(C=C6)C(=O)C=C(O7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations