Geometry & MOs

Info

ID:

132798

PubChem CID:

51422760

Reduced:

NO5C31H35 (1)

Stoich.:

AB5C31D35 (1)

Weight, g/mol:

491.230788

ΔHf, kcal/mol:

-171.86

Dipole, Da:

5.12

IP(EA), eV:

 -8.51(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxyethyl (4S,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H]2C3=C(C[C@@H](CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OC5CCCC5)C

DOS

IR

Vibrations