Geometry & MOs

Info

ID:

414971

PubChem CID:

135087951

Reduced:

N6O7C36H46 (1)

Stoich.:

A6B7C36D46 (1)

Weight, g/mol:

366.205576

ΔHf, kcal/mol:

-225.78

Dipole, Da:

3.56

IP(EA), eV:

 -8.79(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyridin-4-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)C(=O)C3=NOC(=C3)C)C)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations