Geometry & MOs

Info

ID:

420277

PubChem CID:

135112212

Reduced:

NOC7H9 (5)

Stoich.:

ABC7D9 (5)

Weight, g/mol:

367.189592

ΔHf, kcal/mol:

-193.49

Dipole, Da:

5.24

IP(EA), eV:

 -8.44(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-3-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-3-oxopropanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)COCC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations