Geometry & MOs

Info

ID:

132797

PubChem CID:

51422759

Reduced:

NO6C29H33 (1)

Stoich.:

AB6C29D33 (1)

Weight, g/mol:

501.251523

ΔHf, kcal/mol:

-203.55

Dipole, Da:

7.47

IP(EA), eV:

 -8.46(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopentyl (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)OCCOC)C

DOS

IR

Vibrations