Geometry & MOs

Info

ID:

132720

PubChem CID:

51406497

Reduced:

NO5C27H33 (1)

Stoich.:

AB5C27D33 (1)

Weight, g/mol:

489.178752

ΔHf, kcal/mol:

-218.26

Dipole, Da:

5.16

IP(EA), eV:

 -8.73(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-benzyl 6-O-methyl (4R,6R,7R)-4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC2=C([C@H](C(=C(N2)C)C(=O)OC3CCCCC3)C4=CC=C(C=C4)C)C(=O)[C@H]1C(=O)OC

DOS

IR

Vibrations