Geometry & MOs

Info

ID:

421427

PubChem CID:

135115991

Reduced:

O5N7C38H51 (1)

Stoich.:

A5B7C38D51 (1)

Weight, g/mol:

355.189592

ΔHf, kcal/mol:

-193.45

Dipole, Da:

9.23

IP(EA), eV:

 -8.79(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N2CCCCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C3=CC=C(C2)C=C3)CC4=CC=CC=C4)CC(C)C)C

DOS

IR

Vibrations