Geometry & MOs

Info

ID:

417277

PubChem CID:

135091906

Reduced:

N6O7C36H46 (1)

Stoich.:

A6B7C36D46 (1)

Weight, g/mol:

364.189926

ΔHf, kcal/mol:

-219.17

Dipole, Da:

7.84

IP(EA), eV:

 -8.83(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CC(=NO3)C4=CC=CC=C4)C(C)C

DOS

IR

Vibrations